2-(4-hydroxyphenyl)-N-(1,3-oxazol-5-ylmethyl)quinoline-4-carboxamide

C20H15N3O3 — CID 166385963

IUPAC2-(4-hydroxyphenyl)-N-(1,3-oxazol-5-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1cnco1)c1cc(-c2ccc(O)cc2)nc2ccccc12
InChIInChI=1S/C20H15N3O3/c24-14-7-5-13(6-8-14)19-9-17(16-3-1-2-4-18(16)23-19)20(25)22-11-15-10-21-12-26-15/h1-10,12,24H,11H2,(H,22,25)
InChIKeyRXDYOQQXKCLXLD-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.53
Rot. Bonds4

About 2-(4-hydroxyphenyl)-N-(1,3-oxazol-5-ylmethyl)quinoline-4-carboxamide

2-(4-hydroxyphenyl)-N-(1,3-oxazol-5-ylmethyl)quinoline-4-carboxamide (PubChem CID 166385963) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-(1,3-oxazol-5-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-(1,3-oxazol-5-ylmethyl)quinoline-4-carboxamide
PubChem CID166385963
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name2-(4-hydroxyphenyl)-N-(1,3-oxazol-5-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1cnco1)c1cc(-c2ccc(O)cc2)nc2ccccc12
InChIInChI=1S/C20H15N3O3/c24-14-7-5-13(6-8-14)19-9-17(16-3-1-2-4-18(16)23-19)20(25)22-11-15-10-21-12-26-15/h1-10,12,24H,11H2,(H,22,25)
InChIKeyRXDYOQQXKCLXLD-UHFFFAOYSA-N
XLogP3.53
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014
N-(furan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3241370
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide
CID 9079005
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 4057293
N-[2,2-dimethyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2334871
2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide
CID 9079495
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide
CID 50816051

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-(1,3-oxazol-5-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-(1,3-oxazol-5-ylmethyl)quinoline-4-carboxamide (CID 166385963) is 2-(4-hydroxyphenyl)-N-(1,3-oxazol-5-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-(1,3-oxazol-5-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-(1,3-oxazol-5-ylmethyl)quinoline-4-carboxamide is O=C(NCc1cnco1)c1cc(-c2ccc(O)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-(1,3-oxazol-5-ylmethyl)quinoline-4-carboxamide?
The InChIKey is RXDYOQQXKCLXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-14-7-5-13(6-8-14)19-9-17(16-3-1-2-4-18(16)23-19)20(25)22-11-15-10-21-12-26-15/h1-10,12,24H,11H2,(H,22,25).
What are the key properties of 2-(4-hydroxyphenyl)-N-(1,3-oxazol-5-ylmethyl)quinoline-4-carboxamide?
2-(4-hydroxyphenyl)-N-(1,3-oxazol-5-ylmethyl)quinoline-4-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-(1,3-oxazol-5-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 166385963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).