3-(4-fluorophenyl)-4-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide

C19H24FN3O3 — CID 110353718

IUPAC3-(4-fluorophenyl)-4-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide
SMILESCc1cc(NC(=O)[C@H](C)NC(=O)CC(c2ccc(F)cc2)C(C)C)no1
InChIInChI=1S/C19H24FN3O3/c1-11(2)16(14-5-7-15(20)8-6-14)10-18(24)21-13(4)19(25)22-17-9-12(3)26-23-17/h5-9,11,13,16H,10H2,1-4H3,(H,21,24)(H,22,23,25)/t13-,16?/m0/s1
InChIKeyMLHWCQUHSKLFKU-KNVGNIICSA-N
MW361.42 g/mol
LogP3.40
Rot. Bonds7

About 3-(4-fluorophenyl)-4-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide

3-(4-fluorophenyl)-4-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide (PubChem CID 110353718) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide
PubChem CID110353718
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name3-(4-fluorophenyl)-4-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide
SMILESCc1cc(NC(=O)[C@H](C)NC(=O)CC(c2ccc(F)cc2)C(C)C)no1
InChIInChI=1S/C19H24FN3O3/c1-11(2)16(14-5-7-15(20)8-6-14)10-18(24)21-13(4)19(25)22-17-9-12(3)26-23-17/h5-9,11,13,16H,10H2,1-4H3,(H,21,24)(H,22,23,25)/t13-,16?/m0/s1
InChIKeyMLHWCQUHSKLFKU-KNVGNIICSA-N
XLogP3.40
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 110304419
(2S)-2-[(2-aminoacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 22689772
2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 6487759
3-cyclopropyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide
CID 110304406
2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 94038397
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 134021342
2-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110624095
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide
CID 112507057
(2S)-2-[(4-fluorophenyl)methylsulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51711263
(2S)-2-amino-3-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]butanamide
CID 22689861
(2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507075
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenoxypropanoylamino)propanamide
CID 112507061

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide?
The IUPAC name of 3-(4-fluorophenyl)-4-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide (CID 110353718) is 3-(4-fluorophenyl)-4-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-4-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide?
The canonical SMILES for 3-(4-fluorophenyl)-4-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide is Cc1cc(NC(=O)[C@H](C)NC(=O)CC(c2ccc(F)cc2)C(C)C)no1.
What is the InChIKey of 3-(4-fluorophenyl)-4-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide?
The InChIKey is MLHWCQUHSKLFKU-KNVGNIICSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-11(2)16(14-5-7-15(20)8-6-14)10-18(24)21-13(4)19(25)22-17-9-12(3)26-23-17/h5-9,11,13,16H,10H2,1-4H3,(H,21,24)(H,22,23,25)/t13-,16?/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-4-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide?
3-(4-fluorophenyl)-4-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide has a molecular weight of 361.42 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide is sourced from PubChem (CID 110353718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).