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

C15H17FN2O2 — CID 87043554

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-fluorophenyl)propanamide
SMILESCc1nc(CNC(=O)CCc2cccc(F)c2)oc1C
InChIInChI=1S/C15H17FN2O2/c1-10-11(2)20-15(18-10)9-17-14(19)7-6-12-4-3-5-13(16)8-12/h3-5,8H,6-7,9H2,1-2H3,(H,17,19)
InChIKeyIEBWEAXSJUCWRK-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.68
Rot. Bonds5

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-fluorophenyl)propanamide (PubChem CID 87043554) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-fluorophenyl)propanamide
PubChem CID87043554
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-fluorophenyl)propanamide
SMILESCc1nc(CNC(=O)CCc2cccc(F)c2)oc1C
InChIInChI=1S/C15H17FN2O2/c1-10-11(2)20-15(18-10)9-17-14(19)7-6-12-4-3-5-13(16)8-12/h3-5,8H,6-7,9H2,1-2H3,(H,17,19)
InChIKeyIEBWEAXSJUCWRK-UHFFFAOYSA-N
XLogP2.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 87043584
3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide
CID 110737950
3-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 110717379
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)propan-2-amine
CID 102673147
3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 43309221
3-(3-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide
CID 110730389
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 47344961
6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-6-oxohexanoic acid
CID 106370238
3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418848
tert-butyl N-[2-[2-[3-(3-fluorophenyl)propanoylamino]ethylamino]-2-oxoethyl]carbamate
CID 108916262
3-(3-fluorophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]propanamide
CID 60589527
N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 110791794

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-fluorophenyl)propanamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-fluorophenyl)propanamide (CID 87043554) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-fluorophenyl)propanamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-fluorophenyl)propanamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-fluorophenyl)propanamide is Cc1nc(CNC(=O)CCc2cccc(F)c2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-fluorophenyl)propanamide?
The InChIKey is IEBWEAXSJUCWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10-11(2)20-15(18-10)9-17-14(19)7-6-12-4-3-5-13(16)8-12/h3-5,8H,6-7,9H2,1-2H3,(H,17,19).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-fluorophenyl)propanamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-fluorophenyl)propanamide has a molecular weight of 276.31 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-fluorophenyl)propanamide is sourced from PubChem (CID 87043554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).