6-ethoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide

C15H13N3O4 — CID 87015454

IUPAC6-ethoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cn1
InChIInChI=1S/C15H13N3O4/c1-2-21-13-6-3-9(8-16-13)14(19)17-10-4-5-12-11(7-10)18-15(20)22-12/h3-8H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyMJRULUNNTNRVOU-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.17
Rot. Bonds4

About 6-ethoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide

6-ethoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide (PubChem CID 87015454) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 6-ethoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
PubChem CID87015454
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name6-ethoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cn1
InChIInChI=1S/C15H13N3O4/c1-2-21-13-6-3-9(8-16-13)14(19)17-10-4-5-12-11(7-10)18-15(20)22-12/h3-8H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyMJRULUNNTNRVOU-UHFFFAOYSA-N
XLogP2.17
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019844
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466944
3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-prop-2-enoxybenzamide
CID 134019993
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487
4-(1H-imidazol-5-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 166382068
4-(difluoromethoxy)-3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38465227
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(propylsulfonylamino)benzamide
CID 37155913
6-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide
CID 27033587
1-oxido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridin-1-ium-4-carboxamide
CID 38466723
3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 110607962

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 6-ethoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide (CID 87015454) is 6-ethoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide is CCOc1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cn1.
What is the InChIKey of 6-ethoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
The InChIKey is MJRULUNNTNRVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-2-21-13-6-3-9(8-16-13)14(19)17-10-4-5-12-11(7-10)18-15(20)22-12/h3-8H,2H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 6-ethoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
6-ethoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide has a molecular weight of 299.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 87015454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).