N-(1H-indol-7-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-pyrazin-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C117H104N28O13 — CID 157086503

About N-(1H-indol-7-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-pyrazin-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

N-(1H-indol-7-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-pyrazin-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 157086503) has the molecular formula C117H104N28O13 and a molecular weight of 2110.30 g/mol. Its IUPAC name is N-(1H-indol-7-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-pyrazin-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

• Compound Name: N-(1H-indol-7-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-pyrazin-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
• PubChem CID: 157086503
• Molecular Formula: C117H104N28O13
• Molecular Weight: 2110.30 g/mol
• Exact Mass: 2108.83
• IUPAC Name: N-(1H-indol-7-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-pyrazin-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
• SMILES: Cc1cc(NC(=O)C2CN(Cc3ccc(-n4cccn4)cc3)c3ccccc3O2)no1.Cc1nc(NC(=O)C2CN(Cc3ccc(-n4cccn4)cc3)c3ccccc3O2)no1.Cc1nnc(NC(=O)C2CN(Cc3ccc(-n4cccn4)cc3)c3ccccc3O2)o1.O=C(Nc1cccc2cc[nH]c12)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1.O=C(Nc1cnccn1)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1
• InChI: InChI=1S/C27H23N5O2.C23H20N6O2.C23H21N5O3.2C22H20N6O3/c33-27(30-22-6-3-5-20-13-15-28-26(20)22)25-18-31(23-7-1-2-8-24(23)34-25)17-19-9-11-21(12-10-19)32-16-4-14-29-32;30-23(27-22-14-24-11-12-25-22)21-16-28(19-4-1-2-5-20(19)31-21)15-17-6-8-18(9-7-17)29-13-3-10-26-29;1-16-13-22(26-31-16)25-23(29)21-15-27(19-5-2-3-6-20(19)30-21)14-17-7-9-18(10-8-17)28-12-4-11-24-28;1-15-25-26-22(30-15)24-21(29)20-14-27(18-5-2-3-6-19(18)31-20)13-16-7-9-17(10-8-16)28-12-4-11-23-28;1-15-24-22(26-31-15)25-21(29)20-14-27(18-5-2-3-6-19(18)30-20)13-16-7-9-17(10-8-16)28-12-4-11-23-28/h1-16,25,28H,17-18H2,(H,30,33);1-14,21H,15-16H2,(H,25,27,30);2-13,21H,14-15H2,1H3,(H,25,26,29);2-12,20H,13-14H2,1H3,(H,24,26,29);2-12,20H,13-14H2,1H3,(H,25,26,29)
• InChIKey: AEDMIVJQUCHIGM-UHFFFAOYSA-N
• XLogP: 17.34
• TPSA: 442.39 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 25
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2110.30
LogP ≤ 5	17.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-7-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-pyrazin-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The IUPAC name of N-(1H-indol-7-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-pyrazin-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 157086503) is N-(1H-indol-7-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-pyrazin-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

What is the SMILES notation for N-(1H-indol-7-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-pyrazin-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The canonical SMILES for N-(1H-indol-7-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-pyrazin-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is Cc1cc(NC(=O)C2CN(Cc3ccc(-n4cccn4)cc3)c3ccccc3O2)no1.Cc1nc(NC(=O)C2CN(Cc3ccc(-n4cccn4)cc3)c3ccccc3O2)no1.Cc1nnc(NC(=O)C2CN(Cc3ccc(-n4cccn4)cc3)c3ccccc3O2)o1.O=C(Nc1cccc2cc[nH]c12)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1.O=C(Nc1cnccn1)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1.

What is the InChIKey of N-(1H-indol-7-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-pyrazin-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The InChIKey is AEDMIVJQUCHIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2.C23H20N6O2.C23H21N5O3.2C22H20N6O3/c33-27(30-22-6-3-5-20-13-15-28-26(20)22)25-18-31(23-7-1-2-8-24(23)34-25)17-19-9-11-21(12-10-19)32-16-4-14-29-32;30-23(27-22-14-24-11-12-25-22)21-16-28(19-4-1-2-5-20(19)31-21)15-17-6-8-18(9-7-17)29-13-3-10-26-29;1-16-13-22(26-31-16)25-23(29)21-15-27(19-5-2-3-6-20(19)30-21)14-17-7-9-18(10-8-17)28-12-4-11-24-28;1-15-25-26-22(30-15)24-21(29)20-14-27(18-5-2-3-6-19(18)31-20)13-16-7-9-17(10-8-16)28-12-4-11-23-28;1-15-24-22(26-31-15)25-21(29)20-14-27(18-5-2-3-6-19(18)30-20)13-16-7-9-17(10-8-16)28-12-4-11-23-28/h1-16,25,28H,17-18H2,(H,30,33);1-14,21H,15-16H2,(H,25,27,30);2-13,21H,14-15H2,1H3,(H,25,26,29);2-12,20H,13-14H2,1H3,(H,24,26,29);2-12,20H,13-14H2,1H3,(H,25,26,29).

What are the key properties of N-(1H-indol-7-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-pyrazin-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

N-(1H-indol-7-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-pyrazin-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 2110.30 g/mol, XLogP of 17.34, 25 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1H-indol-7-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-pyrazin-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 157086503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).