6-[4-[4-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid

C28H26N4O4 — CID 46832326

IUPAC6-[4-[4-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(C2CCN(c3ccc(C(=O)O)cn3)CC2)cc1
InChIInChI=1S/C28H26N4O4/c1-18-25(31-27(36-18)21-5-3-2-4-6-21)26(33)30-23-10-7-19(8-11-23)20-13-15-32(16-14-20)24-12-9-22(17-29-24)28(34)35/h2-12,17,20H,13-16H2,1H3,(H,30,33)(H,34,35)
InChIKeyGFUVLROCUYVNQQ-UHFFFAOYSA-N
MW482.54 g/mol
LogP5.38
Rot. Bonds6

About 6-[4-[4-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid

6-[4-[4-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 46832326) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is 6-[4-[4-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[4-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID46832326
Molecular FormulaC28H26N4O4
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC Name6-[4-[4-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(C2CCN(c3ccc(C(=O)O)cn3)CC2)cc1
InChIInChI=1S/C28H26N4O4/c1-18-25(31-27(36-18)21-5-3-2-4-6-21)26(33)30-23-10-7-19(8-11-23)20-13-15-32(16-14-20)24-12-9-22(17-29-24)28(34)35/h2-12,17,20H,13-16H2,1H3,(H,30,33)(H,34,35)
InChIKeyGFUVLROCUYVNQQ-UHFFFAOYSA-N
XLogP5.38
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.54
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-[4-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

5-fluoro-2-phenyl-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
CID 70870822
5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 26289707
N-[6-[4-(methylamino)piperidin-1-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 86632274
N-(4-methylphenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide
CID 44527531
6-[4-[4-[(3-tert-butylphenyl)carbamoyl]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 59318142
N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 52936954
N-(4-fluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 17393566
tert-butyl 4-[4-[(5-ethyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidine-1-carboxylate
CID 67439696
N-[6-[(3R)-3-[acetyl(methyl)amino]pyrrolidin-1-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 59301432
2,2-dimethyl-3-[1-[5-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]propanoic acid
CID 25118299
N-[4-[1-(3,4-dihydroxycyclopentanecarbonyl)piperidin-4-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 66738193
5-methyl-N-(1-methylpyrazol-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 32606809

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-[4-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid (CID 46832326) is 6-[4-[4-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[4-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-[4-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid is Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(C2CCN(c3ccc(C(=O)O)cn3)CC2)cc1.
What is the InChIKey of 6-[4-[4-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is GFUVLROCUYVNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O4/c1-18-25(31-27(36-18)21-5-3-2-4-6-21)26(33)30-23-10-7-19(8-11-23)20-13-15-32(16-14-20)24-12-9-22(17-29-24)28(34)35/h2-12,17,20H,13-16H2,1H3,(H,30,33)(H,34,35).
What are the key properties of 6-[4-[4-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid?
6-[4-[4-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 482.54 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 46832326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).