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

C21H22N4O4 — CID 134808906

IUPAC6-(6-methoxy-3-pyridinyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cc(C)on3)c3c(c2)N(C)CCO3)cn1
InChIInChI=1S/C21H22N4O4/c1-13-8-16(24-29-13)12-23-21(26)17-9-15(14-4-5-19(27-3)22-11-14)10-18-20(17)28-7-6-25(18)2/h4-5,8-11H,6-7,12H2,1-3H3,(H,23,26)
InChIKeyRDMAOJHLPQFPGV-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.81
Rot. Bonds5

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

6-(6-methoxy-3-pyridinyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide (PubChem CID 134808906) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
PubChem CID134808906
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name6-(6-methoxy-3-pyridinyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cc(C)on3)c3c(c2)N(C)CCO3)cn1
InChIInChI=1S/C21H22N4O4/c1-13-8-16(24-29-13)12-23-21(26)17-9-15(14-4-5-19(27-3)22-11-14)10-18-20(17)28-7-6-25(18)2/h4-5,8-11H,6-7,12H2,1-3H3,(H,23,26)
InChIKeyRDMAOJHLPQFPGV-UHFFFAOYSA-N
XLogP2.81
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide (CID 134808906) is 6-(6-methoxy-3-pyridinyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide is COc1ccc(-c2cc(C(=O)NCc3cc(C)on3)c3c(c2)N(C)CCO3)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The InChIKey is RDMAOJHLPQFPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-13-8-16(24-29-13)12-23-21(26)17-9-15(14-4-5-19(27-3)22-11-14)10-18-20(17)28-7-6-25(18)2/h4-5,8-11H,6-7,12H2,1-3H3,(H,23,26).
What are the key properties of 6-(6-methoxy-3-pyridinyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
6-(6-methoxy-3-pyridinyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 134808906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).