N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide

C18H19N5O3 — CID 121439915

IUPACN-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESC[C@@H](O)c1cn(C2CC(NC(=O)c3cc(-c4ccccc4)no3)C2)nn1
InChIInChI=1S/C18H19N5O3/c1-11(24)16-10-23(22-20-16)14-7-13(8-14)19-18(25)17-9-15(21-26-17)12-5-3-2-4-6-12/h2-6,9-11,13-14,24H,7-8H2,1H3,(H,19,25)/t11-,13?,14?/m1/s1
InChIKeyOKLGVVZNVLGGMD-LMWSTFAQSA-N
MW353.38 g/mol
LogP2.12
Rot. Bonds5

About N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide

N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 121439915) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID121439915
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESC[C@@H](O)c1cn(C2CC(NC(=O)c3cc(-c4ccccc4)no3)C2)nn1
InChIInChI=1S/C18H19N5O3/c1-11(24)16-10-23(22-20-16)14-7-13(8-14)19-18(25)17-9-15(21-26-17)12-5-3-2-4-6-12/h2-6,9-11,13-14,24H,7-8H2,1H3,(H,19,25)/t11-,13?,14?/m1/s1
InChIKeyOKLGVVZNVLGGMD-LMWSTFAQSA-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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide (CID 121439915) is N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide is C[C@@H](O)c1cn(C2CC(NC(=O)c3cc(-c4ccccc4)no3)C2)nn1.
What is the InChIKey of N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is OKLGVVZNVLGGMD-LMWSTFAQSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-11(24)16-10-23(22-20-16)14-7-13(8-14)19-18(25)17-9-15(21-26-17)12-5-3-2-4-6-12/h2-6,9-11,13-14,24H,7-8H2,1H3,(H,19,25)/t11-,13?,14?/m1/s1.
What are the key properties of N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide?
N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-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-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 121439915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).