1-[(3R)-4-methyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-(2-phenylcyclopropyl)urea

C28H31N5O2 — CID 70802372

IUPAC1-[(3R)-4-methyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-(2-phenylcyclopropyl)urea
SMILESCC1CCC(NC(=O)NC2CC2c2ccccc2)C[C@H]1c1nc(-c2cn(C)c3ccccc23)no1
InChIInChI=1S/C28H31N5O2/c1-17-12-13-19(29-28(34)30-24-15-22(24)18-8-4-3-5-9-18)14-21(17)27-31-26(32-35-27)23-16-33(2)25-11-7-6-10-20(23)25/h3-11,16-17,19,21-22,24H,12-15H2,1-2H3,(H2,29,30,34)/t17?,19?,21-,22?,24?/m1/s1
InChIKeyWYPONUXYKYFTGU-ZYAKRABNSA-N
MW469.59 g/mol
LogP5.36
Rot. Bonds5

About 1-[(3R)-4-methyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-(2-phenylcyclopropyl)urea

1-[(3R)-4-methyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-(2-phenylcyclopropyl)urea (PubChem CID 70802372) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 1-[(3R)-4-methyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-(2-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-[(3R)-4-methyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-(2-phenylcyclopropyl)urea
PubChem CID70802372
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC Name1-[(3R)-4-methyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-(2-phenylcyclopropyl)urea
SMILESCC1CCC(NC(=O)NC2CC2c2ccccc2)C[C@H]1c1nc(-c2cn(C)c3ccccc23)no1
InChIInChI=1S/C28H31N5O2/c1-17-12-13-19(29-28(34)30-24-15-22(24)18-8-4-3-5-9-18)14-21(17)27-31-26(32-35-27)23-16-33(2)25-11-7-6-10-20(23)25/h3-11,16-17,19,21-22,24H,12-15H2,1-2H3,(H2,29,30,34)/t17?,19?,21-,22?,24?/m1/s1
InChIKeyWYPONUXYKYFTGU-ZYAKRABNSA-N
XLogP5.36
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-4-methyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-(2-phenylcyclopropyl)urea 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 1-[(3R)-4-methyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-(2-phenylcyclopropyl)urea?
The IUPAC name of 1-[(3R)-4-methyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-(2-phenylcyclopropyl)urea (CID 70802372) is 1-[(3R)-4-methyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-(2-phenylcyclopropyl)urea.
What is the SMILES notation for 1-[(3R)-4-methyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-(2-phenylcyclopropyl)urea?
The canonical SMILES for 1-[(3R)-4-methyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-(2-phenylcyclopropyl)urea is CC1CCC(NC(=O)NC2CC2c2ccccc2)C[C@H]1c1nc(-c2cn(C)c3ccccc23)no1.
What is the InChIKey of 1-[(3R)-4-methyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-(2-phenylcyclopropyl)urea?
The InChIKey is WYPONUXYKYFTGU-ZYAKRABNSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-17-12-13-19(29-28(34)30-24-15-22(24)18-8-4-3-5-9-18)14-21(17)27-31-26(32-35-27)23-16-33(2)25-11-7-6-10-20(23)25/h3-11,16-17,19,21-22,24H,12-15H2,1-2H3,(H2,29,30,34)/t17?,19?,21-,22?,24?/m1/s1.
What are the key properties of 1-[(3R)-4-methyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-(2-phenylcyclopropyl)urea?
1-[(3R)-4-methyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-(2-phenylcyclopropyl)urea has a molecular weight of 469.59 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-4-methyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-(2-phenylcyclopropyl)urea is sourced from PubChem (CID 70802372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).