1-(1,3-benzoxazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-4-carboxamide

C23H22N4O3 — CID 75456724

IUPAC1-(1,3-benzoxazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-4-carboxamide
SMILESCc1noc(-c2ccccc2)c1NC(=O)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C23H22N4O3/c1-15-20(21(30-26-15)16-7-3-2-4-8-16)25-22(28)17-11-13-27(14-12-17)23-24-18-9-5-6-10-19(18)29-23/h2-10,17H,11-14H2,1H3,(H,25,28)
InChIKeyPVISSHTVOLXZFL-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.65
Rot. Bonds4

About 1-(1,3-benzoxazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-4-carboxamide (PubChem CID 75456724) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-4-carboxamide
PubChem CID75456724
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-4-carboxamide
SMILESCc1noc(-c2ccccc2)c1NC(=O)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C23H22N4O3/c1-15-20(21(30-26-15)16-7-3-2-4-8-16)25-22(28)17-11-13-27(14-12-17)23-24-18-9-5-6-10-19(18)29-23/h2-10,17H,11-14H2,1H3,(H,25,28)
InChIKeyPVISSHTVOLXZFL-UHFFFAOYSA-N
XLogP4.65
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17421563
1-(1,3-benzoxazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 16594434
1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 25337579
N-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 112807549
N-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 17428124
1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide
CID 16590448
1-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17423416
1-(1,3-benzoxazol-2-yl)-N-(4-bromo-3-methylphenyl)piperidine-4-carboxamide
CID 34837675
1-(1,3-benzoxazol-2-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 17456772
1-(1,3-benzoxazol-2-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
CID 112807608
2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 119169865

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-4-carboxamide (CID 75456724) is 1-(1,3-benzoxazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-4-carboxamide is Cc1noc(-c2ccccc2)c1NC(=O)C1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-4-carboxamide?
The InChIKey is PVISSHTVOLXZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-15-20(21(30-26-15)16-7-3-2-4-8-16)25-22(28)17-11-13-27(14-12-17)23-24-18-9-5-6-10-19(18)29-23/h2-10,17H,11-14H2,1H3,(H,25,28).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-4-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 75456724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).