(2S)-2-(1H-imidazol-2-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-1-carboxamide

C17H19N5O2 — CID 97054065

IUPAC(2S)-2-(1H-imidazol-2-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-1-carboxamide
SMILESCc1nc2ccc(NC(=O)N3CCCC[C@H]3c3ncc[nH]3)cc2o1
InChIInChI=1S/C17H19N5O2/c1-11-20-13-6-5-12(10-15(13)24-11)21-17(23)22-9-3-2-4-14(22)16-18-7-8-19-16/h5-8,10,14H,2-4,9H2,1H3,(H,18,19)(H,21,23)/t14-/m0/s1
InChIKeyFUQAXOSKGJGBJX-AWEZNQCLSA-N
MW325.37 g/mol
LogP3.62
Rot. Bonds2

About (2S)-2-(1H-imidazol-2-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-1-carboxamide

(2S)-2-(1H-imidazol-2-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-1-carboxamide (PubChem CID 97054065) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2S)-2-(1H-imidazol-2-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(1H-imidazol-2-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-1-carboxamide
PubChem CID97054065
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(2S)-2-(1H-imidazol-2-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-1-carboxamide
SMILESCc1nc2ccc(NC(=O)N3CCCC[C@H]3c3ncc[nH]3)cc2o1
InChIInChI=1S/C17H19N5O2/c1-11-20-13-6-5-12(10-15(13)24-11)21-17(23)22-9-3-2-4-14(22)16-18-7-8-19-16/h5-8,10,14H,2-4,9H2,1H3,(H,18,19)(H,21,23)/t14-/m0/s1
InChIKeyFUQAXOSKGJGBJX-AWEZNQCLSA-N
XLogP3.62
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
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2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide
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2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
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N-(2-methyl-1,3-benzoxazol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
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N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide
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(2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-imidazol-2-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-1-carboxamide?
The IUPAC name of (2S)-2-(1H-imidazol-2-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-1-carboxamide (CID 97054065) is (2S)-2-(1H-imidazol-2-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(1H-imidazol-2-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-(1H-imidazol-2-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-1-carboxamide is Cc1nc2ccc(NC(=O)N3CCCC[C@H]3c3ncc[nH]3)cc2o1.
What is the InChIKey of (2S)-2-(1H-imidazol-2-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-1-carboxamide?
The InChIKey is FUQAXOSKGJGBJX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-20-13-6-5-12(10-15(13)24-11)21-17(23)22-9-3-2-4-14(22)16-18-7-8-19-16/h5-8,10,14H,2-4,9H2,1H3,(H,18,19)(H,21,23)/t14-/m0/s1.
What are the key properties of (2S)-2-(1H-imidazol-2-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-1-carboxamide?
(2S)-2-(1H-imidazol-2-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-1-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-imidazol-2-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97054065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).