N-[4-(3-methylphenyl)phenyl]-1-(1,3-oxazole-5-carbonyl)piperidine-4-carboxamide

C23H23N3O3 — CID 72919256

IUPACN-[4-(3-methylphenyl)phenyl]-1-(1,3-oxazole-5-carbonyl)piperidine-4-carboxamide
SMILESCc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)c4cnco4)CC3)cc2)c1
InChIInChI=1S/C23H23N3O3/c1-16-3-2-4-19(13-16)17-5-7-20(8-6-17)25-22(27)18-9-11-26(12-10-18)23(28)21-14-24-15-29-21/h2-8,13-15,18H,9-12H2,1H3,(H,25,27)
InChIKeyLFTBHFKYPCJQEW-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.14
Rot. Bonds4

About N-[4-(3-methylphenyl)phenyl]-1-(1,3-oxazole-5-carbonyl)piperidine-4-carboxamide

N-[4-(3-methylphenyl)phenyl]-1-(1,3-oxazole-5-carbonyl)piperidine-4-carboxamide (PubChem CID 72919256) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[4-(3-methylphenyl)phenyl]-1-(1,3-oxazole-5-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methylphenyl)phenyl]-1-(1,3-oxazole-5-carbonyl)piperidine-4-carboxamide
PubChem CID72919256
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[4-(3-methylphenyl)phenyl]-1-(1,3-oxazole-5-carbonyl)piperidine-4-carboxamide
SMILESCc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)c4cnco4)CC3)cc2)c1
InChIInChI=1S/C23H23N3O3/c1-16-3-2-4-19(13-16)17-5-7-20(8-6-17)25-22(27)18-9-11-26(12-10-18)23(28)21-14-24-15-29-21/h2-8,13-15,18H,9-12H2,1H3,(H,25,27)
InChIKeyLFTBHFKYPCJQEW-UHFFFAOYSA-N
XLogP4.14
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(1,3-oxazole-5-carbonyl)-N-[4-[4-[[(3S)-1-(1,3-oxazole-5-carbonyl)pyrrolidine-3-carbonyl]amino]phenyl]phenyl]pyrrolidine-3-carboxamide
CID 51036865
N-[4-(3-methylphenyl)phenyl]-1-[(2R)-spiro[2.3]hexane-2-carbonyl]piperidine-4-carboxamide
CID 42394081
1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
CID 25493262
N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 25289485
1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
CID 26399704
N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006643
1-(cyclopropanecarbonyl)-N-(4-phenylphenyl)piperidine-4-carboxamide
CID 51155668
(3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide
CID 125178178
N-(3,4-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006439
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 55930145
N-(3,4-difluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008987

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylphenyl)phenyl]-1-(1,3-oxazole-5-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(3-methylphenyl)phenyl]-1-(1,3-oxazole-5-carbonyl)piperidine-4-carboxamide (CID 72919256) is N-[4-(3-methylphenyl)phenyl]-1-(1,3-oxazole-5-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(3-methylphenyl)phenyl]-1-(1,3-oxazole-5-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(3-methylphenyl)phenyl]-1-(1,3-oxazole-5-carbonyl)piperidine-4-carboxamide is Cc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)c4cnco4)CC3)cc2)c1.
What is the InChIKey of N-[4-(3-methylphenyl)phenyl]-1-(1,3-oxazole-5-carbonyl)piperidine-4-carboxamide?
The InChIKey is LFTBHFKYPCJQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16-3-2-4-19(13-16)17-5-7-20(8-6-17)25-22(27)18-9-11-26(12-10-18)23(28)21-14-24-15-29-21/h2-8,13-15,18H,9-12H2,1H3,(H,25,27).
What are the key properties of N-[4-(3-methylphenyl)phenyl]-1-(1,3-oxazole-5-carbonyl)piperidine-4-carboxamide?
N-[4-(3-methylphenyl)phenyl]-1-(1,3-oxazole-5-carbonyl)piperidine-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylphenyl)phenyl]-1-(1,3-oxazole-5-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 72919256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).