(2S)-N-(3-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide

C17H16FN3O2 — CID 25354769

IUPAC(2S)-N-(3-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
SMILESCc1nc2cc(N[C@@H](C)C(=O)Nc3cccc(F)c3)ccc2o1
InChIInChI=1S/C17H16FN3O2/c1-10(17(22)21-13-5-3-4-12(18)8-13)19-14-6-7-16-15(9-14)20-11(2)23-16/h3-10,19H,1-2H3,(H,21,22)/t10-/m0/s1
InChIKeyHEJKRCOWQRBXGK-JTQLQIEISA-N
MW313.33 g/mol
LogP3.71
Rot. Bonds4

About (2S)-N-(3-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide

(2S)-N-(3-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide (PubChem CID 25354769) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is (2S)-N-(3-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
PubChem CID25354769
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name(2S)-N-(3-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
SMILESCc1nc2cc(N[C@@H](C)C(=O)Nc3cccc(F)c3)ccc2o1
InChIInChI=1S/C17H16FN3O2/c1-10(17(22)21-13-5-3-4-12(18)8-13)19-14-6-7-16-15(9-14)20-11(2)23-16/h3-10,19H,1-2H3,(H,21,22)/t10-/m0/s1
InChIKeyHEJKRCOWQRBXGK-JTQLQIEISA-N
XLogP3.71
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-chloro-4-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25474428
(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(3-nitrophenyl)propanamide
CID 25473815
(2R)-N-(2-chloro-4-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25474138
(2R)-N-(4-methoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25349306
N-(3-fluorophenyl)-2-(4-methylanilino)propanamide
CID 51242421
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
(2S)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-sulfamoylphenyl)propanamide
CID 25342725
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361
2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 17488732
3-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide;dihydrochloride
CID 120502568
(2S)-N-(2,4-dichlorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25348758

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide?
The IUPAC name of (2S)-N-(3-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide (CID 25354769) is (2S)-N-(3-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide.
What is the SMILES notation for (2S)-N-(3-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide?
The canonical SMILES for (2S)-N-(3-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide is Cc1nc2cc(N[C@@H](C)C(=O)Nc3cccc(F)c3)ccc2o1.
What is the InChIKey of (2S)-N-(3-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide?
The InChIKey is HEJKRCOWQRBXGK-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-10(17(22)21-13-5-3-4-12(18)8-13)19-14-6-7-16-15(9-14)20-11(2)23-16/h3-10,19H,1-2H3,(H,21,22)/t10-/m0/s1.
What are the key properties of (2S)-N-(3-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide?
(2S)-N-(3-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide has a molecular weight of 313.33 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide is sourced from PubChem (CID 25354769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).