2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C14H16FN3O2 — CID 6487759

IUPAC2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)NCc2ccc(F)cc2)no1
InChIInChI=1S/C14H16FN3O2/c1-9-7-13(18-20-9)17-14(19)10(2)16-8-11-3-5-12(15)6-4-11/h3-7,10,16H,8H2,1-2H3,(H,17,18,19)
InChIKeyHYQSDLQTSOXSNO-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.24
Rot. Bonds5

About 2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 6487759) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID6487759
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)NCc2ccc(F)cc2)no1
InChIInChI=1S/C14H16FN3O2/c1-9-7-13(18-20-9)17-14(19)10(2)16-8-11-3-5-12(15)6-4-11/h3-7,10,16H,8H2,1-2H3,(H,17,18,19)
InChIKeyHYQSDLQTSOXSNO-UHFFFAOYSA-N
XLogP2.24
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-fluorophenyl)methylsulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51711263
5-(4-fluorophenyl)-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 110304419
3-(4-fluorophenyl)-4-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 110353718
2-[2-(4-fluorophenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 86913137
2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 43084839
N-[(4-fluorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
CID 108997916
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 134021342
(2R)-2-[(4-acetamidophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 32510370
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9368665
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(methylsulfonylmethyl)anilino]propanamide
CID 95264542
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-fluorophenyl)furan-2-carboxylate
CID 17480605
6-[(4-fluorophenyl)methylamino]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109369846

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 6487759) is 2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)C(C)NCc2ccc(F)cc2)no1.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is HYQSDLQTSOXSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-9-7-13(18-20-9)17-14(19)10(2)16-8-11-3-5-12(15)6-4-11/h3-7,10,16H,8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 277.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 6487759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).