N-[3-[5-[(1R)-1-methoxyethyl]triazol-1-yl]cyclobutyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide

C20H23N5O3 — CID 121448126

IUPACN-[3-[5-[(1R)-1-methoxyethyl]triazol-1-yl]cyclobutyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCO[C@H](C)c1cnnn1C1CC(N(C)C(=O)c2cc(-c3ccccc3)no2)C1
InChIInChI=1S/C20H23N5O3/c1-13(27-3)18-12-21-23-25(18)16-9-15(10-16)24(2)20(26)19-11-17(22-28-19)14-7-5-4-6-8-14/h4-8,11-13,15-16H,9-10H2,1-3H3/t13-,15?,16?/m1/s1
InChIKeyRVRMHCTTZXEAON-IUDNXUCKSA-N
MW381.44 g/mol
LogP3.12
Rot. Bonds6

About N-[3-[5-[(1R)-1-methoxyethyl]triazol-1-yl]cyclobutyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide

N-[3-[5-[(1R)-1-methoxyethyl]triazol-1-yl]cyclobutyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 121448126) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[3-[5-[(1R)-1-methoxyethyl]triazol-1-yl]cyclobutyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[5-[(1R)-1-methoxyethyl]triazol-1-yl]cyclobutyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID121448126
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[3-[5-[(1R)-1-methoxyethyl]triazol-1-yl]cyclobutyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCO[C@H](C)c1cnnn1C1CC(N(C)C(=O)c2cc(-c3ccccc3)no2)C1
InChIInChI=1S/C20H23N5O3/c1-13(27-3)18-12-21-23-25(18)16-9-15(10-16)24(2)20(26)19-11-17(22-28-19)14-7-5-4-6-8-14/h4-8,11-13,15-16H,9-10H2,1-3H3/t13-,15?,16?/m1/s1
InChIKeyRVRMHCTTZXEAON-IUDNXUCKSA-N
XLogP3.12
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[3-[5-[(1R)-1-methoxyethyl]triazol-1-yl]cyclobutyl]-N-methyl-3-phenyl-1,2-oxazole-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-[3-[5-[(1R)-1-methoxyethyl]triazol-1-yl]cyclobutyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-[5-[(1R)-1-methoxyethyl]triazol-1-yl]cyclobutyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide (CID 121448126) is N-[3-[5-[(1R)-1-methoxyethyl]triazol-1-yl]cyclobutyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[5-[(1R)-1-methoxyethyl]triazol-1-yl]cyclobutyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[5-[(1R)-1-methoxyethyl]triazol-1-yl]cyclobutyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide is CO[C@H](C)c1cnnn1C1CC(N(C)C(=O)c2cc(-c3ccccc3)no2)C1.
What is the InChIKey of N-[3-[5-[(1R)-1-methoxyethyl]triazol-1-yl]cyclobutyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is RVRMHCTTZXEAON-IUDNXUCKSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13(27-3)18-12-21-23-25(18)16-9-15(10-16)24(2)20(26)19-11-17(22-28-19)14-7-5-4-6-8-14/h4-8,11-13,15-16H,9-10H2,1-3H3/t13-,15?,16?/m1/s1.
What are the key properties of N-[3-[5-[(1R)-1-methoxyethyl]triazol-1-yl]cyclobutyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide?
N-[3-[5-[(1R)-1-methoxyethyl]triazol-1-yl]cyclobutyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(1R)-1-methoxyethyl]triazol-1-yl]cyclobutyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 121448126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).