(2S)-4-[(2-ethyl-1,3-oxazole-5-carbonyl)amino]-5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-2-methylpentanoic acid

C25H27FN2O5 — CID 126724498

IUPAC(2S)-4-[(2-ethyl-1,3-oxazole-5-carbonyl)amino]-5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-2-methylpentanoic acid
SMILESCCc1ncc(C(=O)NC(Cc2ccc(-c3cc(F)ccc3OC)cc2)C[C@H](C)C(=O)O)o1
InChIInChI=1S/C25H27FN2O5/c1-4-23-27-14-22(33-23)24(29)28-19(11-15(2)25(30)31)12-16-5-7-17(8-6-16)20-13-18(26)9-10-21(20)32-3/h5-10,13-15,19H,4,11-12H2,1-3H3,(H,28,29)(H,30,31)/t15-,19?/m0/s1
InChIKeyWIXCXGXPWUYZMI-FUKCDUGKSA-N
MW454.50 g/mol
LogP4.50
Rot. Bonds10

About (2S)-4-[(2-ethyl-1,3-oxazole-5-carbonyl)amino]-5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-2-methylpentanoic acid

(2S)-4-[(2-ethyl-1,3-oxazole-5-carbonyl)amino]-5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-2-methylpentanoic acid (PubChem CID 126724498) has the molecular formula C25H27FN2O5 and a molecular weight of 454.50 g/mol. Its IUPAC name is (2S)-4-[(2-ethyl-1,3-oxazole-5-carbonyl)amino]-5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-2-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-4-[(2-ethyl-1,3-oxazole-5-carbonyl)amino]-5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-2-methylpentanoic acid
PubChem CID126724498
Molecular FormulaC25H27FN2O5
Molecular Weight454.50 g/mol
Exact Mass454.19
IUPAC Name(2S)-4-[(2-ethyl-1,3-oxazole-5-carbonyl)amino]-5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-2-methylpentanoic acid
SMILESCCc1ncc(C(=O)NC(Cc2ccc(-c3cc(F)ccc3OC)cc2)C[C@H](C)C(=O)O)o1
InChIInChI=1S/C25H27FN2O5/c1-4-23-27-14-22(33-23)24(29)28-19(11-15(2)25(30)31)12-16-5-7-17(8-6-16)20-13-18(26)9-10-21(20)32-3/h5-10,13-15,19H,4,11-12H2,1-3H3,(H,28,29)(H,30,31)/t15-,19?/m0/s1
InChIKeyWIXCXGXPWUYZMI-FUKCDUGKSA-N
XLogP4.50
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-4-[(2-ethyl-1,3-oxazole-5-carbonyl)amino]-5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-2-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2R,4S)-4-[(2-methoxy-1,3-oxazole-5-carbonyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoate
CID 59608133
propan-2-yl (2R,4R)-4-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoate
CID 67969799
(2S)-4-(3-carboxypropanoylamino)-5-[4-(2-methoxyphenyl)phenyl]-2-methylpentanoic acid
CID 68752507
3-amino-4-[4-(5-fluoro-2-methoxyphenyl)phenyl]butanoic acid
CID 67208775
iodo 4-[4-(5-fluoro-2-methoxyphenyl)phenyl]-3-[(2-oxo-3H-1,3,4-oxadiazole-5-carbonyl)amino]butanoate
CID 144685393
1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylpropan-2-amine
CID 82540192
(2R,4R)-2-hydroxy-4-[[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid
CID 67969724
3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic acid
CID 70029206
(2R)-2-methyl-5-(4-phenylphenyl)-4-(pyrimidine-5-carbonylamino)pentanoic acid
CID 126724309
5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 122420570
4-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]pyridine-2-carboxylic acid
CID 59608318
4-[[(4S)-5-ethoxy-1-[4-(2-methoxyphenyl)phenyl]-4-methyl-5-oxopentan-2-yl]amino]-4-oxobutanoic acid
CID 68753820

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2-ethyl-1,3-oxazole-5-carbonyl)amino]-5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-2-methylpentanoic acid?
The IUPAC name of (2S)-4-[(2-ethyl-1,3-oxazole-5-carbonyl)amino]-5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-2-methylpentanoic acid (CID 126724498) is (2S)-4-[(2-ethyl-1,3-oxazole-5-carbonyl)amino]-5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-2-methylpentanoic acid.
What is the SMILES notation for (2S)-4-[(2-ethyl-1,3-oxazole-5-carbonyl)amino]-5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-2-methylpentanoic acid?
The canonical SMILES for (2S)-4-[(2-ethyl-1,3-oxazole-5-carbonyl)amino]-5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-2-methylpentanoic acid is CCc1ncc(C(=O)NC(Cc2ccc(-c3cc(F)ccc3OC)cc2)C[C@H](C)C(=O)O)o1.
What is the InChIKey of (2S)-4-[(2-ethyl-1,3-oxazole-5-carbonyl)amino]-5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-2-methylpentanoic acid?
The InChIKey is WIXCXGXPWUYZMI-FUKCDUGKSA-N. The full InChI is InChI=1S/C25H27FN2O5/c1-4-23-27-14-22(33-23)24(29)28-19(11-15(2)25(30)31)12-16-5-7-17(8-6-16)20-13-18(26)9-10-21(20)32-3/h5-10,13-15,19H,4,11-12H2,1-3H3,(H,28,29)(H,30,31)/t15-,19?/m0/s1.
What are the key properties of (2S)-4-[(2-ethyl-1,3-oxazole-5-carbonyl)amino]-5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-2-methylpentanoic acid?
(2S)-4-[(2-ethyl-1,3-oxazole-5-carbonyl)amino]-5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-2-methylpentanoic acid has a molecular weight of 454.50 g/mol, XLogP of 4.50, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2-ethyl-1,3-oxazole-5-carbonyl)amino]-5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-2-methylpentanoic acid is sourced from PubChem (CID 126724498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).