5-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide

C17H15N3O4 — CID 3598619

IUPAC5-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cccnc3)no2)cc1OC
InChIInChI=1S/C17H15N3O4/c1-22-14-6-5-11(8-16(14)23-2)15-9-13(20-24-15)17(21)19-12-4-3-7-18-10-12/h3-10H,1-2H3,(H,19,21)
InChIKeyUAIKQYGGEYNLIZ-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.01
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide

5-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 3598619) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID3598619
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name5-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cccnc3)no2)cc1OC
InChIInChI=1S/C17H15N3O4/c1-22-14-6-5-11(8-16(14)23-2)15-9-13(20-24-15)17(21)19-12-4-3-7-18-10-12/h3-10H,1-2H3,(H,19,21)
InChIKeyUAIKQYGGEYNLIZ-UHFFFAOYSA-N
XLogP3.01
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ML381
CID 42519285
5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)isoxazole-3-carboxamide
CID 3239565
N-(2-chloropyridin-3-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3604840
4-(3,4-dimethoxyphenyl)-4-oxo-N-(pyridin-3-yl)butanamide
CID 971201
5-(2-methoxyphenyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 3236616
4-[5-(4-Ethoxyphenyl)-1,2-oxazol-3-YL]-N-[(pyridin-3-YL)methyl]butanamide
CID 5308862
4-(6-Methoxy-3-pyridinyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 24761350
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 2092236
5-(3,4-dimethoxyphenyl)-N-(4-methoxybenzyl)isoxazole-3-carboxamide
CID 3236665
1-{[5-(3,4-Dimethoxyphenyl)isoxazol-3-yl]carbonyl}-1,2,3,4-tetrahydroquinoline
CID 3238310
N,5-bis(3,4-dimethoxyphenyl)isoxazole-3-carboxamide
CID 3242624
5-(1,3-benzodioxol-5-yl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 3242920

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 3598619) is 5-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cccnc3)no2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is UAIKQYGGEYNLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-22-14-6-5-11(8-16(14)23-2)15-9-13(20-24-15)17(21)19-12-4-3-7-18-10-12/h3-10H,1-2H3,(H,19,21).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
5-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3598619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).