N-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-fluoro-4-phenylbutanamide

C19H17FN2O3 — CID 142191483

IUPACN-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-fluoro-4-phenylbutanamide
SMILESO=C(CNC(=O)C(F)CCc1ccccc1)c1nc2ccccc2o1
InChIInChI=1S/C19H17FN2O3/c20-14(11-10-13-6-2-1-3-7-13)18(24)21-12-16(23)19-22-15-8-4-5-9-17(15)25-19/h1-9,14H,10-12H2,(H,21,24)
InChIKeyNXPAULDFOJYPSI-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.10
Rot. Bonds7

About N-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-fluoro-4-phenylbutanamide

N-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-fluoro-4-phenylbutanamide (PubChem CID 142191483) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-fluoro-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-fluoro-4-phenylbutanamide
PubChem CID142191483
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC NameN-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-fluoro-4-phenylbutanamide
SMILESO=C(CNC(=O)C(F)CCc1ccccc1)c1nc2ccccc2o1
InChIInChI=1S/C19H17FN2O3/c20-14(11-10-13-6-2-1-3-7-13)18(24)21-12-16(23)19-22-15-8-4-5-9-17(15)25-19/h1-9,14H,10-12H2,(H,21,24)
InChIKeyNXPAULDFOJYPSI-UHFFFAOYSA-N
XLogP3.10
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]formamide;ethylbenzene
CID 142192293
N-[1-(1,3-benzoxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-2-naphthalen-1-ylacetamide
CID 18517709
N-[(1S,2S)-1-(1,3-benzoxazol-2-yl)-1-hydroxy-4-phenylbutan-2-yl]formamide
CID 173198520
4-amino-1-(1,3-benzoxazol-2-yl)butan-1-one
CID 173180639
1-(1,3-benzoxazol-2-yl)-2-[4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 12701949
(2R)-N-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-3-[[2-(difluoromethoxy)phenyl]methylsulfonyl]-2-[1-(methanesulfonamido)ethylideneamino]propanamide;ethane
CID 143073741
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
CID 110711803
N-[1-[[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]amino]-1-oxo-4-phenylpentan-2-yl]-6-(2-chlorophenyl)pyridine-3-carboxamide;ethane
CID 142831945
N-(2,2-dimethoxyethyl)-1,3-benzoxazole-2-carboxamide
CID 15441221
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate
CID 9065003
N-[1-(1,3-benzoxazol-2-yl)-1-hydroxy-4-phenylbutan-2-yl]-N'-benzyl-2-(cyclohexylmethyl)propanediamide
CID 69473165
2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-one
CID 70077251

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-fluoro-4-phenylbutanamide?
The IUPAC name of N-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-fluoro-4-phenylbutanamide (CID 142191483) is N-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-fluoro-4-phenylbutanamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-fluoro-4-phenylbutanamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-fluoro-4-phenylbutanamide is O=C(CNC(=O)C(F)CCc1ccccc1)c1nc2ccccc2o1.
What is the InChIKey of N-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-fluoro-4-phenylbutanamide?
The InChIKey is NXPAULDFOJYPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c20-14(11-10-13-6-2-1-3-7-13)18(24)21-12-16(23)19-22-15-8-4-5-9-17(15)25-19/h1-9,14H,10-12H2,(H,21,24).
What are the key properties of N-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-fluoro-4-phenylbutanamide?
N-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-fluoro-4-phenylbutanamide has a molecular weight of 340.35 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-fluoro-4-phenylbutanamide is sourced from PubChem (CID 142191483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).