(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-fluoro-4-methylphenyl)propanamide

C19H18FN3O3 — CID 95202272

IUPAC(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)NC(=O)Cc2noc3ccccc23)c(F)c1
InChIInChI=1S/C19H18FN3O3/c1-11-7-8-15(14(20)9-11)22-19(25)12(2)21-18(24)10-16-13-5-3-4-6-17(13)26-23-16/h3-9,12H,10H2,1-2H3,(H,21,24)(H,22,25)/t12-/m0/s1
InChIKeyVUMNWJMUZUPWGY-LBPRGKRZSA-N
MW355.37 g/mol
LogP2.96
Rot. Bonds5

About (2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-fluoro-4-methylphenyl)propanamide

(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-fluoro-4-methylphenyl)propanamide (PubChem CID 95202272) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is (2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-fluoro-4-methylphenyl)propanamide
PubChem CID95202272
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)NC(=O)Cc2noc3ccccc23)c(F)c1
InChIInChI=1S/C19H18FN3O3/c1-11-7-8-15(14(20)9-11)22-19(25)12(2)21-18(24)10-16-13-5-3-4-6-17(13)26-23-16/h3-9,12H,10H2,1-2H3,(H,21,24)(H,22,25)/t12-/m0/s1
InChIKeyVUMNWJMUZUPWGY-LBPRGKRZSA-N
XLogP2.96
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
N-(4-bromo-2-fluorophenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108803279
2-(1,2-benzoxazol-3-yl)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide
CID 94618514
2-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]acetamide
CID 9187304
2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647250
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647246
2-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 51217461
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 108803187
2-(1,2-benzoxazol-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 84948325
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2-methylphenyl)acetamide
CID 22519860
2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 64781445
2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 46480330

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-fluoro-4-methylphenyl)propanamide?
The IUPAC name of (2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-fluoro-4-methylphenyl)propanamide (CID 95202272) is (2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-fluoro-4-methylphenyl)propanamide is Cc1ccc(NC(=O)[C@H](C)NC(=O)Cc2noc3ccccc23)c(F)c1.
What is the InChIKey of (2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-fluoro-4-methylphenyl)propanamide?
The InChIKey is VUMNWJMUZUPWGY-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-11-7-8-15(14(20)9-11)22-19(25)12(2)21-18(24)10-16-13-5-3-4-6-17(13)26-23-16/h3-9,12H,10H2,1-2H3,(H,21,24)(H,22,25)/t12-/m0/s1.
What are the key properties of (2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-fluoro-4-methylphenyl)propanamide?
(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-fluoro-4-methylphenyl)propanamide has a molecular weight of 355.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 95202272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).