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

C19H21N5O3 — CID 121439912

IUPACN-[3-[[5-[(1R)-1-hydroxyethyl]triazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESC[C@@H](O)c1cnnn1CC1CC(NC(=O)c2cc(-c3ccccc3)no2)C1
InChIInChI=1S/C19H21N5O3/c1-12(25)17-10-20-23-24(17)11-13-7-15(8-13)21-19(26)18-9-16(22-27-18)14-5-3-2-4-6-14/h2-6,9-10,12-13,15,25H,7-8,11H2,1H3,(H,21,26)/t12-,13?,15?/m1/s1
InChIKeyJWXKMQLFSFFBFY-DNOWBOINSA-N
MW367.41 g/mol
LogP2.19
Rot. Bonds6

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

N-[3-[[5-[(1R)-1-hydroxyethyl]triazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 121439912) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[3-[[5-[(1R)-1-hydroxyethyl]triazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[[5-[(1R)-1-hydroxyethyl]triazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID121439912
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-[3-[[5-[(1R)-1-hydroxyethyl]triazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESC[C@@H](O)c1cnnn1CC1CC(NC(=O)c2cc(-c3ccccc3)no2)C1
InChIInChI=1S/C19H21N5O3/c1-12(25)17-10-20-23-24(17)11-13-7-15(8-13)21-19(26)18-9-16(22-27-18)14-5-3-2-4-6-14/h2-6,9-10,12-13,15,25H,7-8,11H2,1H3,(H,21,26)/t12-,13?,15?/m1/s1
InChIKeyJWXKMQLFSFFBFY-DNOWBOINSA-N
XLogP2.19
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-[(1R)-1-hydroxyethyl]triazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-[[5-[(1R)-1-hydroxyethyl]triazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide (CID 121439912) is N-[3-[[5-[(1R)-1-hydroxyethyl]triazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[[5-[(1R)-1-hydroxyethyl]triazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[[5-[(1R)-1-hydroxyethyl]triazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide is C[C@@H](O)c1cnnn1CC1CC(NC(=O)c2cc(-c3ccccc3)no2)C1.
What is the InChIKey of N-[3-[[5-[(1R)-1-hydroxyethyl]triazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is JWXKMQLFSFFBFY-DNOWBOINSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12(25)17-10-20-23-24(17)11-13-7-15(8-13)21-19(26)18-9-16(22-27-18)14-5-3-2-4-6-14/h2-6,9-10,12-13,15,25H,7-8,11H2,1H3,(H,21,26)/t12-,13?,15?/m1/s1.
What are the key properties of N-[3-[[5-[(1R)-1-hydroxyethyl]triazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide?
N-[3-[[5-[(1R)-1-hydroxyethyl]triazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-[(1R)-1-hydroxyethyl]triazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 121439912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).