3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[cyclopropyl(phenyl)methyl]propanamide

C22H21ClN2O2 — CID 51308137

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[cyclopropyl(phenyl)methyl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C22H21ClN2O2/c23-18-9-5-4-8-17(18)19-14-24-21(27-19)13-12-20(26)25-22(16-10-11-16)15-6-2-1-3-7-15/h1-9,14,16,22H,10-13H2,(H,25,26)
InChIKeyKUBKPMGLDODHPJ-UHFFFAOYSA-N
MW380.88 g/mol
LogP5.20
Rot. Bonds7

About 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[cyclopropyl(phenyl)methyl]propanamide

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[cyclopropyl(phenyl)methyl]propanamide (PubChem CID 51308137) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[cyclopropyl(phenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[cyclopropyl(phenyl)methyl]propanamide
PubChem CID51308137
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[cyclopropyl(phenyl)methyl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C22H21ClN2O2/c23-18-9-5-4-8-17(18)19-14-24-21(27-19)13-12-20(26)25-22(16-10-11-16)15-6-2-1-3-7-15/h1-9,14,16,22H,10-13H2,(H,25,26)
InChIKeyKUBKPMGLDODHPJ-UHFFFAOYSA-N
XLogP5.20
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-cyclopropylethyl]propanamide
CID 32893547
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 55500513
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1S,2S)-2-ethylcyclopropyl]propanamide
CID 95628031
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1S,2R)-2-ethylcyclopropyl]propanamide
CID 95628030
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 34689755
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(1-phenylcyclobutyl)propanamide
CID 51316256
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide
CID 43067351
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methylpiperidin-3-yl)propanamide
CID 120577468
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-oxopiperidin-3-yl)propanamide
CID 60616967
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 16583617
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenoxypropyl)propanamide
CID 18137997
N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 55890342

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[cyclopropyl(phenyl)methyl]propanamide?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[cyclopropyl(phenyl)methyl]propanamide (CID 51308137) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[cyclopropyl(phenyl)methyl]propanamide.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[cyclopropyl(phenyl)methyl]propanamide?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[cyclopropyl(phenyl)methyl]propanamide is O=C(CCc1ncc(-c2ccccc2Cl)o1)NC(c1ccccc1)C1CC1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[cyclopropyl(phenyl)methyl]propanamide?
The InChIKey is KUBKPMGLDODHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c23-18-9-5-4-8-17(18)19-14-24-21(27-19)13-12-20(26)25-22(16-10-11-16)15-6-2-1-3-7-15/h1-9,14,16,22H,10-13H2,(H,25,26).
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[cyclopropyl(phenyl)methyl]propanamide?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[cyclopropyl(phenyl)methyl]propanamide has a molecular weight of 380.88 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[cyclopropyl(phenyl)methyl]propanamide is sourced from PubChem (CID 51308137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).