1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea

C18H23N5O2 — CID 67832132

IUPAC1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea
SMILESCc1noc(-c2ccccc2NC(=O)NC2C[C@H]3CC[C@@H](C2)N3C)n1
InChIInChI=1S/C18H23N5O2/c1-11-19-17(25-22-11)15-5-3-4-6-16(15)21-18(24)20-12-9-13-7-8-14(10-12)23(13)2/h3-6,12-14H,7-10H2,1-2H3,(H2,20,21,24)/t12?,13-,14+
InChIKeyGUJWDEDGRKIZOR-AGUYFDCRSA-N
MW341.42 g/mol
LogP2.79
Rot. Bonds3

About 1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea

1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea (PubChem CID 67832132) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea
PubChem CID67832132
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea
SMILESCc1noc(-c2ccccc2NC(=O)NC2C[C@H]3CC[C@@H](C2)N3C)n1
InChIInChI=1S/C18H23N5O2/c1-11-19-17(25-22-11)15-5-3-4-6-16(15)21-18(24)20-12-9-13-7-8-14(10-12)23(13)2/h3-6,12-14H,7-10H2,1-2H3,(H2,20,21,24)/t12?,13-,14+
InChIKeyGUJWDEDGRKIZOR-AGUYFDCRSA-N
XLogP2.79
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]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-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea?
The IUPAC name of 1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea (CID 67832132) is 1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea?
The canonical SMILES for 1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea is Cc1noc(-c2ccccc2NC(=O)NC2C[C@H]3CC[C@@H](C2)N3C)n1.
What is the InChIKey of 1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea?
The InChIKey is GUJWDEDGRKIZOR-AGUYFDCRSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-11-19-17(25-22-11)15-5-3-4-6-16(15)21-18(24)20-12-9-13-7-8-14(10-12)23(13)2/h3-6,12-14H,7-10H2,1-2H3,(H2,20,21,24)/t12?,13-,14+.
What are the key properties of 1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea?
1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea has a molecular weight of 341.42 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea is sourced from PubChem (CID 67832132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).