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

C16H19FN2O2 — CID 139018062

IUPAC3-(4-fluorophenyl)-N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]butanamide
SMILESCc1ncc(CCNC(=O)CC(C)c2ccc(F)cc2)o1
InChIInChI=1S/C16H19FN2O2/c1-11(13-3-5-14(17)6-4-13)9-16(20)18-8-7-15-10-19-12(2)21-15/h3-6,10-11H,7-9H2,1-2H3,(H,18,20)
InChIKeyVYXFOBFNNKOUFD-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.97
Rot. Bonds6

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

3-(4-fluorophenyl)-N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]butanamide (PubChem CID 139018062) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]butanamide
PubChem CID139018062
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name3-(4-fluorophenyl)-N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]butanamide
SMILESCc1ncc(CCNC(=O)CC(C)c2ccc(F)cc2)o1
InChIInChI=1S/C16H19FN2O2/c1-11(13-3-5-14(17)6-4-13)9-16(20)18-8-7-15-10-19-12(2)21-15/h3-6,10-11H,7-9H2,1-2H3,(H,18,20)
InChIKeyVYXFOBFNNKOUFD-UHFFFAOYSA-N
XLogP2.97
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-Phenyl-1-(5-(trifluoromethyl)oxazol-2-yl)heptan-1-one
CID 11991896
1-(5-Methyl-1,3-oxazol-2-yl)-7-phenylheptan-1-one
CID 11991888
N,N-diethyl-2-[(1,3-oxazol-5-ylmethylamino)methyl]-1-phenylcyclopropane-1-carboxamide
CID 44454797
2-Methyl-5-(2-phenylethyl)-1,3-oxazole
CID 57804803
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-phenylcyclopropan-1-amine
CID 53588214
5-propan-2-yl-2-[[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole
CID 71848138
2-(3,4-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 71863788
(3S)-3-[(4-fluorophenyl)methyl]-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione
CID 97319051
(1S)-1-(3-fluoro-4-methylphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 97334742
3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 99839620
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 137985779
4-[2-(2,4-difluorophenyl)ethyl]-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidine-1-carboxamide
CID 164632765

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]butanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]butanamide (CID 139018062) is 3-(4-fluorophenyl)-N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]butanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]butanamide is Cc1ncc(CCNC(=O)CC(C)c2ccc(F)cc2)o1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]butanamide?
The InChIKey is VYXFOBFNNKOUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-11(13-3-5-14(17)6-4-13)9-16(20)18-8-7-15-10-19-12(2)21-15/h3-6,10-11H,7-9H2,1-2H3,(H,18,20).
What are the key properties of 3-(4-fluorophenyl)-N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]butanamide?
3-(4-fluorophenyl)-N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]butanamide has a molecular weight of 290.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 139018062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).