phenyl N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate

C18H17N3O3 — CID 110321456

IUPACphenyl N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
SMILESCc1ccc(-c2nnc(CCNC(=O)Oc3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O3/c1-13-7-9-14(10-8-13)17-21-20-16(24-17)11-12-19-18(22)23-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyFLJPPVOQFPNBHV-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.38
Rot. Bonds5

About phenyl N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate

phenyl N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate (PubChem CID 110321456) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is phenyl N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
PubChem CID110321456
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Namephenyl N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
SMILESCc1ccc(-c2nnc(CCNC(=O)Oc3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O3/c1-13-7-9-14(10-8-13)17-21-20-16(24-17)11-12-19-18(22)23-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyFLJPPVOQFPNBHV-UHFFFAOYSA-N
XLogP3.38
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze phenyl N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110322484
N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide
CID 110321394
N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-phenoxyacetamide
CID 110321314
methyl N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 110321860
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenoxypropanamide
CID 110321939
2-(4-methylphenoxy)-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 110320557
N-[2-(2-methoxyphenyl)ethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51231780
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pentanamide
CID 110320370
1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea
CID 110321438
2-(4-methylphenoxy)-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110319572
(4-chlorophenyl) 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 134049813
2,3,4-trifluoro-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321450

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate?
The IUPAC name of phenyl N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate (CID 110321456) is phenyl N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate?
The canonical SMILES for phenyl N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate is Cc1ccc(-c2nnc(CCNC(=O)Oc3ccccc3)o2)cc1.
What is the InChIKey of phenyl N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate?
The InChIKey is FLJPPVOQFPNBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-13-7-9-14(10-8-13)17-21-20-16(24-17)11-12-19-18(22)23-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of phenyl N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate?
phenyl N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate has a molecular weight of 323.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 110321456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).