(2S)-2-amino-4,4-difluoro-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide

C18H21F2N3O3 — CID 68821131

IUPAC(2S)-2-amino-4,4-difluoro-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide
SMILESCC[C@H](NC(=O)[C@@H](N)CC(F)(F)Cc1ccccc1)C(=O)c1ncco1
InChIInChI=1S/C18H21F2N3O3/c1-2-14(15(24)17-22-8-9-26-17)23-16(25)13(21)11-18(19,20)10-12-6-4-3-5-7-12/h3-9,13-14H,2,10-11,21H2,1H3,(H,23,25)/t13-,14-/m0/s1
InChIKeyOBSIJVLLJNVORC-KBPBESRZSA-N
MW365.38 g/mol
LogP2.35
Rot. Bonds9

About (2S)-2-amino-4,4-difluoro-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide

(2S)-2-amino-4,4-difluoro-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide (PubChem CID 68821131) has the molecular formula C18H21F2N3O3 and a molecular weight of 365.38 g/mol. Its IUPAC name is (2S)-2-amino-4,4-difluoro-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4,4-difluoro-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide
PubChem CID68821131
Molecular FormulaC18H21F2N3O3
Molecular Weight365.38 g/mol
Exact Mass365.16
IUPAC Name(2S)-2-amino-4,4-difluoro-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide
SMILESCC[C@H](NC(=O)[C@@H](N)CC(F)(F)Cc1ccccc1)C(=O)c1ncco1
InChIInChI=1S/C18H21F2N3O3/c1-2-14(15(24)17-22-8-9-26-17)23-16(25)13(21)11-18(19,20)10-12-6-4-3-5-7-12/h3-9,13-14H,2,10-11,21H2,1H3,(H,23,25)/t13-,14-/m0/s1
InChIKeyOBSIJVLLJNVORC-KBPBESRZSA-N
XLogP2.35
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-4,4-difluoro-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4,4-difluoro-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide?
The IUPAC name of (2S)-2-amino-4,4-difluoro-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide (CID 68821131) is (2S)-2-amino-4,4-difluoro-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide.
What is the SMILES notation for (2S)-2-amino-4,4-difluoro-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide?
The canonical SMILES for (2S)-2-amino-4,4-difluoro-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide is CC[C@H](NC(=O)[C@@H](N)CC(F)(F)Cc1ccccc1)C(=O)c1ncco1.
What is the InChIKey of (2S)-2-amino-4,4-difluoro-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide?
The InChIKey is OBSIJVLLJNVORC-KBPBESRZSA-N. The full InChI is InChI=1S/C18H21F2N3O3/c1-2-14(15(24)17-22-8-9-26-17)23-16(25)13(21)11-18(19,20)10-12-6-4-3-5-7-12/h3-9,13-14H,2,10-11,21H2,1H3,(H,23,25)/t13-,14-/m0/s1.
What are the key properties of (2S)-2-amino-4,4-difluoro-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide?
(2S)-2-amino-4,4-difluoro-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide has a molecular weight of 365.38 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4,4-difluoro-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide is sourced from PubChem (CID 68821131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).