(2S)-2-cyclopentyl-N-[(1S)-1-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]ethyl]-2-phenylacetamide

C28H27FN2O2 — CID 10321134

IUPAC(2S)-2-cyclopentyl-N-[(1S)-1-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]ethyl]-2-phenylacetamide
SMILESC[C@H](NC(=O)[C@H](c1ccccc1)C1CCCC1)c1ccc2oc(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C28H27FN2O2/c1-18(30-27(32)26(20-9-5-6-10-20)19-7-3-2-4-8-19)22-13-16-25-24(17-22)31-28(33-25)21-11-14-23(29)15-12-21/h2-4,7-8,11-18,20,26H,5-6,9-10H2,1H3,(H,30,32)/t18-,26+/m0/s1
InChIKeyZNKYRGWSHWQQCJ-HFJWLAOPSA-N
MW442.53 g/mol
LogP6.79
Rot. Bonds6

About (2S)-2-cyclopentyl-N-[(1S)-1-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]ethyl]-2-phenylacetamide

(2S)-2-cyclopentyl-N-[(1S)-1-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]ethyl]-2-phenylacetamide (PubChem CID 10321134) has the molecular formula C28H27FN2O2 and a molecular weight of 442.53 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-N-[(1S)-1-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-N-[(1S)-1-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]ethyl]-2-phenylacetamide
PubChem CID10321134
Molecular FormulaC28H27FN2O2
Molecular Weight442.53 g/mol
Exact Mass442.21
IUPAC Name(2S)-2-cyclopentyl-N-[(1S)-1-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]ethyl]-2-phenylacetamide
SMILESC[C@H](NC(=O)[C@H](c1ccccc1)C1CCCC1)c1ccc2oc(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C28H27FN2O2/c1-18(30-27(32)26(20-9-5-6-10-20)19-7-3-2-4-8-19)22-13-16-25-24(17-22)31-28(33-25)21-11-14-23(29)15-12-21/h2-4,7-8,11-18,20,26H,5-6,9-10H2,1H3,(H,30,32)/t18-,26+/m0/s1
InChIKeyZNKYRGWSHWQQCJ-HFJWLAOPSA-N
XLogP6.79
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.53
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-cyclopentyl-N-[(1S)-1-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]ethyl]-2-phenylacetamide with MolForge

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Related Compounds

2-cyclopropyl-2-(4-fluorophenyl)-N-propan-2-ylacetamide
CID 110355345
(2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide
CID 92869531
N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide
CID 28866087
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
(2R)-2-cyclopentyl-2-phenyl-N-[(R)-phenyl-(4-phenylphenyl)methyl]acetamide
CID 40909844
acetic acid;2-(4-fluorophenyl)-1,3-benzoxazole;methane
CID 175273673
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259648
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
CID 801337
(2S)-N-cyclopentyl-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide
CID 95083824
N-cycloheptyl-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide
CID 53103487
(2S)-2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 71662588
2-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5229080

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-N-[(1S)-1-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]ethyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-cyclopentyl-N-[(1S)-1-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]ethyl]-2-phenylacetamide (CID 10321134) is (2S)-2-cyclopentyl-N-[(1S)-1-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]ethyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-N-[(1S)-1-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]ethyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-cyclopentyl-N-[(1S)-1-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]ethyl]-2-phenylacetamide is C[C@H](NC(=O)[C@H](c1ccccc1)C1CCCC1)c1ccc2oc(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of (2S)-2-cyclopentyl-N-[(1S)-1-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]ethyl]-2-phenylacetamide?
The InChIKey is ZNKYRGWSHWQQCJ-HFJWLAOPSA-N. The full InChI is InChI=1S/C28H27FN2O2/c1-18(30-27(32)26(20-9-5-6-10-20)19-7-3-2-4-8-19)22-13-16-25-24(17-22)31-28(33-25)21-11-14-23(29)15-12-21/h2-4,7-8,11-18,20,26H,5-6,9-10H2,1H3,(H,30,32)/t18-,26+/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-N-[(1S)-1-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]ethyl]-2-phenylacetamide?
(2S)-2-cyclopentyl-N-[(1S)-1-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]ethyl]-2-phenylacetamide has a molecular weight of 442.53 g/mol, XLogP of 6.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-N-[(1S)-1-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]ethyl]-2-phenylacetamide is sourced from PubChem (CID 10321134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).