[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-phenylcyclohexyl] N-[2-(1-methylpyrrolidin-2-yl)ethyl]carbamate

C30H38N4O4 — CID 18449628

IUPAC[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-phenylcyclohexyl] N-[2-(1-methylpyrrolidin-2-yl)ethyl]carbamate
SMILESCOc1cccc(Cc2nc(C3(c4ccccc4)CCC(OC(=O)NCCC4CCCN4C)CC3)no2)c1
InChIInChI=1S/C30H38N4O4/c1-34-19-7-11-24(34)15-18-31-29(35)37-25-13-16-30(17-14-25,23-9-4-3-5-10-23)28-32-27(38-33-28)21-22-8-6-12-26(20-22)36-2/h3-6,8-10,12,20,24-25H,7,11,13-19,21H2,1-2H3,(H,31,35)
InChIKeyIFADXCFWBDQHIX-UHFFFAOYSA-N
MW518.66 g/mol
LogP5.11
Rot. Bonds9

About [4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-phenylcyclohexyl] N-[2-(1-methylpyrrolidin-2-yl)ethyl]carbamate

[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-phenylcyclohexyl] N-[2-(1-methylpyrrolidin-2-yl)ethyl]carbamate (PubChem CID 18449628) has the molecular formula C30H38N4O4 and a molecular weight of 518.66 g/mol. Its IUPAC name is [4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-phenylcyclohexyl] N-[2-(1-methylpyrrolidin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Name[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-phenylcyclohexyl] N-[2-(1-methylpyrrolidin-2-yl)ethyl]carbamate
PubChem CID18449628
Molecular FormulaC30H38N4O4
Molecular Weight518.66 g/mol
Exact Mass518.29
IUPAC Name[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-phenylcyclohexyl] N-[2-(1-methylpyrrolidin-2-yl)ethyl]carbamate
SMILESCOc1cccc(Cc2nc(C3(c4ccccc4)CCC(OC(=O)NCCC4CCCN4C)CC3)no2)c1
InChIInChI=1S/C30H38N4O4/c1-34-19-7-11-24(34)15-18-31-29(35)37-25-13-16-30(17-14-25,23-9-4-3-5-10-23)28-32-27(38-33-28)21-22-8-6-12-26(20-22)36-2/h3-6,8-10,12,20,24-25H,7,11,13-19,21H2,1-2H3,(H,31,35)
InChIKeyIFADXCFWBDQHIX-UHFFFAOYSA-N
XLogP5.11
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-phenylcyclohexyl] N-[2-(1-methylpyrrolidin-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

[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-phenylcyclohexyl] N-(4-phenylbutyl)carbamate
CID 58842514
5-[(3-methoxyphenyl)methyl]-3-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-oxadiazole
CID 58842687
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858568
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61353308
[(2R,3S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]carbamate
CID 176952432
N-[2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide
CID 41194156
N-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide
CID 41194152
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]phthalazine-1-carboxamide
CID 93009657
2-(3-methoxyphenyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3-benzoxazole-6-carboxamide
CID 26324000
4-(4-methoxybenzoyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine-1-carboxamide
CID 119064722
2-(2-hydroxyethyl)-N-[2-(3-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 108901080

Frequently Asked Questions

What is the IUPAC name of [4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-phenylcyclohexyl] N-[2-(1-methylpyrrolidin-2-yl)ethyl]carbamate?
The IUPAC name of [4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-phenylcyclohexyl] N-[2-(1-methylpyrrolidin-2-yl)ethyl]carbamate (CID 18449628) is [4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-phenylcyclohexyl] N-[2-(1-methylpyrrolidin-2-yl)ethyl]carbamate.
What is the SMILES notation for [4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-phenylcyclohexyl] N-[2-(1-methylpyrrolidin-2-yl)ethyl]carbamate?
The canonical SMILES for [4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-phenylcyclohexyl] N-[2-(1-methylpyrrolidin-2-yl)ethyl]carbamate is COc1cccc(Cc2nc(C3(c4ccccc4)CCC(OC(=O)NCCC4CCCN4C)CC3)no2)c1.
What is the InChIKey of [4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-phenylcyclohexyl] N-[2-(1-methylpyrrolidin-2-yl)ethyl]carbamate?
The InChIKey is IFADXCFWBDQHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O4/c1-34-19-7-11-24(34)15-18-31-29(35)37-25-13-16-30(17-14-25,23-9-4-3-5-10-23)28-32-27(38-33-28)21-22-8-6-12-26(20-22)36-2/h3-6,8-10,12,20,24-25H,7,11,13-19,21H2,1-2H3,(H,31,35).
What are the key properties of [4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-phenylcyclohexyl] N-[2-(1-methylpyrrolidin-2-yl)ethyl]carbamate?
[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-phenylcyclohexyl] N-[2-(1-methylpyrrolidin-2-yl)ethyl]carbamate has a molecular weight of 518.66 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-phenylcyclohexyl] N-[2-(1-methylpyrrolidin-2-yl)ethyl]carbamate is sourced from PubChem (CID 18449628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).