N-[3-[5-[(1S)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide

C18H19N5O3 — CID 118608781

IUPACN-[3-[5-[(1S)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC[C@H](O)c1cnnn1C1CC(NC(=O)c2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C18H19N5O3/c1-11(24)16-10-19-22-23(16)14-7-13(8-14)20-18(25)15-9-17(26-21-15)12-5-3-2-4-6-12/h2-6,9-11,13-14,24H,7-8H2,1H3,(H,20,25)/t11-,13?,14?/m0/s1
InChIKeyBUYDWYKEKKCJON-XGNXJENSSA-N
MW353.38 g/mol
LogP2.12
Rot. Bonds5

About N-[3-[5-[(1S)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[3-[5-[(1S)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 118608781) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[3-[5-[(1S)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-[(1S)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID118608781
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[3-[5-[(1S)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC[C@H](O)c1cnnn1C1CC(NC(=O)c2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C18H19N5O3/c1-11(24)16-10-19-22-23(16)14-7-13(8-14)20-18(25)15-9-17(26-21-15)12-5-3-2-4-6-12/h2-6,9-11,13-14,24H,7-8H2,1H3,(H,20,25)/t11-,13?,14?/m0/s1
InChIKeyBUYDWYKEKKCJON-XGNXJENSSA-N
XLogP2.12
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[5-[(1S)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-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-[(1S)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[5-[(1S)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 118608781) is N-[3-[5-[(1S)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[5-[(1S)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[5-[(1S)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide is C[C@H](O)c1cnnn1C1CC(NC(=O)c2cc(-c3ccccc3)on2)C1.
What is the InChIKey of N-[3-[5-[(1S)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is BUYDWYKEKKCJON-XGNXJENSSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-11(24)16-10-19-22-23(16)14-7-13(8-14)20-18(25)15-9-17(26-21-15)12-5-3-2-4-6-12/h2-6,9-11,13-14,24H,7-8H2,1H3,(H,20,25)/t11-,13?,14?/m0/s1.
What are the key properties of N-[3-[5-[(1S)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[3-[5-[(1S)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(1S)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118608781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).