2-[(4-fluorophenyl)methyl-prop-2-ynylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C16H16FN3O2 — CID 51097261

IUPAC2-[(4-fluorophenyl)methyl-prop-2-ynylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESC#CCN(CC(=O)Nc1cc(C)no1)Cc1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c1-3-8-20(10-13-4-6-14(17)7-5-13)11-15(21)18-16-9-12(2)19-22-16/h1,4-7,9H,8,10-11H2,2H3,(H,18,21)
InChIKeyMTCPEVCJIYJXNP-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.20
Rot. Bonds6

About 2-[(4-fluorophenyl)methyl-prop-2-ynylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-[(4-fluorophenyl)methyl-prop-2-ynylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 51097261) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-prop-2-ynylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-prop-2-ynylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID51097261
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name2-[(4-fluorophenyl)methyl-prop-2-ynylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESC#CCN(CC(=O)Nc1cc(C)no1)Cc1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c1-3-8-20(10-13-4-6-14(17)7-5-13)11-15(21)18-16-9-12(2)19-22-16/h1,4-7,9H,8,10-11H2,2H3,(H,18,21)
InChIKeyMTCPEVCJIYJXNP-UHFFFAOYSA-N
XLogP2.20
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[benzyl(2-hydroxyethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 62115298
2-[[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]-prop-2-ynylamino]acetic acid
CID 79284198
methyl (2R)-3-[benzyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate
CID 94799712
ethyl 2-[(4-fluorophenyl)methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetate
CID 49435954
2-[ethyl(2-hydroxyethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 37097840
3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 55123061
2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18154510
N-[(4-fluorophenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine
CID 86860846
N-(1-cyanocyclopentyl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide
CID 51097262
2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 111022254
2-(1,3-benzodioxol-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 45284628
2-[cyclohexyl(methyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18154358

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-prop-2-ynylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-prop-2-ynylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 51097261) is 2-[(4-fluorophenyl)methyl-prop-2-ynylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-prop-2-ynylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-prop-2-ynylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is C#CCN(CC(=O)Nc1cc(C)no1)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-prop-2-ynylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is MTCPEVCJIYJXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-3-8-20(10-13-4-6-14(17)7-5-13)11-15(21)18-16-9-12(2)19-22-16/h1,4-7,9H,8,10-11H2,2H3,(H,18,21).
What are the key properties of 2-[(4-fluorophenyl)methyl-prop-2-ynylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-[(4-fluorophenyl)methyl-prop-2-ynylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 301.32 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-prop-2-ynylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 51097261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).