3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H17N3O3 — CID 17095648

IUPAC3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)NCc3cccnc3)C2)cc1
InChIInChI=1S/C17H17N3O3/c1-22-14-6-4-13(5-7-14)15-9-16(23-20-15)17(21)19-11-12-3-2-8-18-10-12/h2-8,10,16H,9,11H2,1H3,(H,19,21)
InChIKeyQVHXJVDMKXWCEB-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.90
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 17095648) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID17095648
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)NCc3cccnc3)C2)cc1
InChIInChI=1S/C17H17N3O3/c1-22-14-6-4-13(5-7-14)15-9-16(23-20-15)17(21)19-11-12-3-2-8-18-10-12/h2-8,10,16H,9,11H2,1H3,(H,19,21)
InChIKeyQVHXJVDMKXWCEB-UHFFFAOYSA-N
XLogP1.90
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 17095648) is 3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(C2=NOC(C(=O)NCc3cccnc3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is QVHXJVDMKXWCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-22-14-6-4-13(5-7-14)15-9-16(23-20-15)17(21)19-11-12-3-2-8-18-10-12/h2-8,10,16H,9,11H2,1H3,(H,19,21).
What are the key properties of 3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17095648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).