(2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C21H21FN2O4 — CID 95580528

IUPAC(2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESC[C@H](C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)n1c(=O)oc2ccccc21
InChIInChI=1S/C21H21FN2O4/c1-13(24-16-5-2-3-6-17(16)28-21(24)26)20(25)23-19(18-7-4-12-27-18)14-8-10-15(22)11-9-14/h2-3,5-6,8-11,13,18-19H,4,7,12H2,1H3,(H,23,25)/t13-,18+,19-/m1/s1
InChIKeyQSVJWMQJXMSGEU-ZNZDAUKMSA-N
MW384.41 g/mol
LogP3.33
Rot. Bonds5

About (2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

(2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 95580528) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is (2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID95580528
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC Name(2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESC[C@H](C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)n1c(=O)oc2ccccc21
InChIInChI=1S/C21H21FN2O4/c1-13(24-16-5-2-3-6-17(16)28-21(24)26)20(25)23-19(18-7-4-12-27-18)14-8-10-15(22)11-9-14/h2-3,5-6,8-11,13,18-19H,4,7,12H2,1H3,(H,23,25)/t13-,18+,19-/m1/s1
InChIKeyQSVJWMQJXMSGEU-ZNZDAUKMSA-N
XLogP3.33
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 95580526
(2R)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide
CID 94651394
(2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide
CID 94651397
N-(1-naphthalen-2-ylethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18143367
1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea
CID 94666558
N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 94633539
1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 75416372
1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea
CID 94667001
1-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1-methylpiperidin-4-yl)urea
CID 94666700
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 97018110
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-methylsulfonylazepane-1-carboxamide
CID 167769059
N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 60601414

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of (2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 95580528) is (2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for (2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is C[C@H](C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)n1c(=O)oc2ccccc21.
What is the InChIKey of (2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is QSVJWMQJXMSGEU-ZNZDAUKMSA-N. The full InChI is InChI=1S/C21H21FN2O4/c1-13(24-16-5-2-3-6-17(16)28-21(24)26)20(25)23-19(18-7-4-12-27-18)14-8-10-15(22)11-9-14/h2-3,5-6,8-11,13,18-19H,4,7,12H2,1H3,(H,23,25)/t13-,18+,19-/m1/s1.
What are the key properties of (2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
(2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 384.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 95580528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).