N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide

C20H21N3O3 — CID 51815176

IUPACN-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)Oc1ccc(-c2noc(C(=O)N[C@H](C)c3ccccc3)n2)cc1
InChIInChI=1S/C20H21N3O3/c1-13(2)25-17-11-9-16(10-12-17)18-22-20(26-23-18)19(24)21-14(3)15-7-5-4-6-8-15/h4-14H,1-3H3,(H,21,24)/t14-/m1/s1
InChIKeyVPMBIOVKSMGLRW-CQSZACIVSA-N
MW351.41 g/mol
LogP4.01
Rot. Bonds6

About N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide

N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 51815176) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID51815176
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)Oc1ccc(-c2noc(C(=O)N[C@H](C)c3ccccc3)n2)cc1
InChIInChI=1S/C20H21N3O3/c1-13(2)25-17-11-9-16(10-12-17)18-22-20(26-23-18)19(24)21-14(3)15-7-5-4-6-8-15/h4-14H,1-3H3,(H,21,24)/t14-/m1/s1
InChIKeyVPMBIOVKSMGLRW-CQSZACIVSA-N
XLogP4.01
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide (CID 51815176) is N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide is CC(C)Oc1ccc(-c2noc(C(=O)N[C@H](C)c3ccccc3)n2)cc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is VPMBIOVKSMGLRW-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13(2)25-17-11-9-16(10-12-17)18-22-20(26-23-18)19(24)21-14(3)15-7-5-4-6-8-15/h4-14H,1-3H3,(H,21,24)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide?
N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 51815176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).