N-[2-(3-chlorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide

C26H23ClN2O2 — CID 46698863

IUPACN-[2-(3-chlorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCCc1cccc(Cl)c1
InChIInChI=1S/C26H23ClN2O2/c27-22-13-7-8-19(18-22)16-17-28-23(30)14-15-24-29-25(20-9-3-1-4-10-20)26(31-24)21-11-5-2-6-12-21/h1-13,18H,14-17H2,(H,28,30)
InChIKeyQOWLFLSPGCWJAG-UHFFFAOYSA-N
MW430.94 g/mol
LogP5.95
Rot. Bonds8

About N-[2-(3-chlorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide

N-[2-(3-chlorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 46698863) has the molecular formula C26H23ClN2O2 and a molecular weight of 430.94 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
PubChem CID46698863
Molecular FormulaC26H23ClN2O2
Molecular Weight430.94 g/mol
Exact Mass430.14
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCCc1cccc(Cl)c1
InChIInChI=1S/C26H23ClN2O2/c27-22-13-7-8-19(18-22)16-17-28-23(30)14-15-24-29-25(20-9-3-1-4-10-20)26(31-24)21-11-5-2-6-12-21/h1-13,18H,14-17H2,(H,28,30)
InChIKeyQOWLFLSPGCWJAG-UHFFFAOYSA-N
XLogP5.95
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.94
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3-hydroxyphenyl)methyl]propanamide
CID 171679459
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-[2-(3-chlorophenyl)ethyl]-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330549
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 170459443
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(methylaminomethyl)phenyl]propanamide
CID 171679462
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoylamino]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 53378337
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 86981056
N-[2-(3-chlorophenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 27838881
6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid
CID 43579976
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(3-chlorophenyl)acetamide
CID 110711846

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide (CID 46698863) is N-[2-(3-chlorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide is O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is QOWLFLSPGCWJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O2/c27-22-13-7-8-19(18-22)16-17-28-23(30)14-15-24-29-25(20-9-3-1-4-10-20)26(31-24)21-11-5-2-6-12-21/h1-13,18H,14-17H2,(H,28,30).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
N-[2-(3-chlorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 430.94 g/mol, XLogP of 5.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 46698863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).