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

C14H16FN3O2 — CID 34067729

IUPACN-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NCc2c(C)noc2C)c1
InChIInChI=1S/C14H16FN3O2/c1-8-12(9(2)20-18-8)7-16-14-6-11(17-10(3)19)4-5-13(14)15/h4-6,16H,7H2,1-3H3,(H,17,19)
InChIKeyOMFCAGWXFMPJOG-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.00
Rot. Bonds4

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

N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-fluorophenyl]acetamide (PubChem CID 34067729) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-fluorophenyl]acetamide
PubChem CID34067729
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NCc2c(C)noc2C)c1
InChIInChI=1S/C14H16FN3O2/c1-8-12(9(2)20-18-8)7-16-14-6-11(17-10(3)19)4-5-13(14)15/h4-6,16H,7H2,1-3H3,(H,17,19)
InChIKeyOMFCAGWXFMPJOG-UHFFFAOYSA-N
XLogP3.00
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylphenyl]acetamide
CID 43739641
N-(3-acetamido-4-fluorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 86920039
2-amino-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-fluorobenzoic acid
CID 83207625
N-[4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide
CID 81311947
N-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide
CID 55161647
N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide
CID 43672518
N-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide
CID 43672553
N-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide
CID 61170227
2-amino-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]benzoic acid
CID 113419845
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 8623625
N-[4-fluoro-3-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 43672523
N-[3-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide
CID 62966369

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-fluorophenyl]acetamide?
The IUPAC name of N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-fluorophenyl]acetamide (CID 34067729) is N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-fluorophenyl]acetamide.
What is the SMILES notation for N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-fluorophenyl]acetamide?
The canonical SMILES for N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-fluorophenyl]acetamide is CC(=O)Nc1ccc(F)c(NCc2c(C)noc2C)c1.
What is the InChIKey of N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-fluorophenyl]acetamide?
The InChIKey is OMFCAGWXFMPJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-8-12(9(2)20-18-8)7-16-14-6-11(17-10(3)19)4-5-13(14)15/h4-6,16H,7H2,1-3H3,(H,17,19).
What are the key properties of N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-fluorophenyl]acetamide?
N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-fluorophenyl]acetamide has a molecular weight of 277.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-fluorophenyl]acetamide is sourced from PubChem (CID 34067729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).