2-[(2R)-1-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperidin-2-yl]acetamide

C21H21N3O3 — CID 95382927

IUPAC2-[(2R)-1-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperidin-2-yl]acetamide
SMILESNC(=O)C[C@H]1CCCCN1C(=O)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C21H21N3O3/c22-19(25)13-16-8-4-5-11-24(16)21(26)15-9-10-18-17(12-15)20(27-23-18)14-6-2-1-3-7-14/h1-3,6-7,9-10,12,16H,4-5,8,11,13H2,(H2,22,25)/t16-/m1/s1
InChIKeySUSPIQZSJYJTRQ-MRXNPFEDSA-N
MW363.42 g/mol
LogP3.36
Rot. Bonds4

About 2-[(2R)-1-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperidin-2-yl]acetamide

2-[(2R)-1-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperidin-2-yl]acetamide (PubChem CID 95382927) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[(2R)-1-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperidin-2-yl]acetamide
PubChem CID95382927
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-[(2R)-1-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperidin-2-yl]acetamide
SMILESNC(=O)C[C@H]1CCCCN1C(=O)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C21H21N3O3/c22-19(25)13-16-8-4-5-11-24(16)21(26)15-9-10-18-17(12-15)20(27-23-18)14-6-2-1-3-7-14/h1-3,6-7,9-10,12,16H,4-5,8,11,13H2,(H2,22,25)/t16-/m1/s1
InChIKeySUSPIQZSJYJTRQ-MRXNPFEDSA-N
XLogP3.36
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 17488305
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 75495914
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 51923600
2-[(2R)-1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-2-yl]acetamide
CID 95293673
(3-methylsulfonylpyrrolidin-1-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 90586999
3,4-dihydro-2H-quinolin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 7465273
[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 122345751
2-[(2R)-1-[3-(azepan-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide
CID 28785398
(2,2-dimethylmorpholin-4-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 51114484
2-[(2R)-1-(4-pyrrol-1-ylbenzoyl)piperidin-2-yl]acetamide
CID 94818861
N-(5-chloro-2-pyridinyl)-1-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperidine-4-carboxamide
CID 55931661
[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 55653019

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperidin-2-yl]acetamide?
The IUPAC name of 2-[(2R)-1-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperidin-2-yl]acetamide (CID 95382927) is 2-[(2R)-1-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R)-1-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperidin-2-yl]acetamide?
The canonical SMILES for 2-[(2R)-1-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperidin-2-yl]acetamide is NC(=O)C[C@H]1CCCCN1C(=O)c1ccc2noc(-c3ccccc3)c2c1.
What is the InChIKey of 2-[(2R)-1-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperidin-2-yl]acetamide?
The InChIKey is SUSPIQZSJYJTRQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21N3O3/c22-19(25)13-16-8-4-5-11-24(16)21(26)15-9-10-18-17(12-15)20(27-23-18)14-6-2-1-3-7-14/h1-3,6-7,9-10,12,16H,4-5,8,11,13H2,(H2,22,25)/t16-/m1/s1.
What are the key properties of 2-[(2R)-1-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperidin-2-yl]acetamide?
2-[(2R)-1-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperidin-2-yl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperidin-2-yl]acetamide is sourced from PubChem (CID 95382927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).