4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(2-methylpyrazol-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide

C19H21N5O3 — CID 134810465

About 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(2-methylpyrazol-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide

4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(2-methylpyrazol-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide (PubChem CID 134810465) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(2-methylpyrazol-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(2-methylpyrazol-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
• PubChem CID: 134810465
• Molecular Formula: C19H21N5O3
• Molecular Weight: 367.41 g/mol
• Exact Mass: 367.16
• IUPAC Name: 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(2-methylpyrazol-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
• SMILES: Cc1cc(CNC(=O)c2cc(-c3ccnn3C)cc3c2OCCN3C)no1
• InChI: InChI=1S/C19H21N5O3/c1-12-8-14(22-27-12)11-20-19(25)15-9-13(16-4-5-21-24(16)3)10-17-18(15)26-7-6-23(17)2/h4-5,8-10H,6-7,11H2,1-3H3,(H,20,25)
• InChIKey: AALNLNCYJNUXKM-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 85.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.41
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(2-methylpyrazol-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?

The IUPAC name of 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(2-methylpyrazol-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide (CID 134810465) is 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(2-methylpyrazol-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide.

What is the SMILES notation for 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(2-methylpyrazol-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?

The canonical SMILES for 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(2-methylpyrazol-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide is Cc1cc(CNC(=O)c2cc(-c3ccnn3C)cc3c2OCCN3C)no1.

What is the InChIKey of 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(2-methylpyrazol-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?

The InChIKey is AALNLNCYJNUXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12-8-14(22-27-12)11-20-19(25)15-9-13(16-4-5-21-24(16)3)10-17-18(15)26-7-6-23(17)2/h4-5,8-10H,6-7,11H2,1-3H3,(H,20,25).

What are the key properties of 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(2-methylpyrazol-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?

4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(2-methylpyrazol-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(2-methylpyrazol-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 134810465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).