N-[(2S)-1-hydroxybutan-2-yl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide

C17H19N5O4 — CID 95230595

IUPACN-[(2S)-1-hydroxybutan-2-yl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCC[C@@H](CO)NC(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1
InChIInChI=1S/C17H19N5O4/c1-2-12(8-23)20-17(24)16-7-15(26-21-16)9-25-14-5-3-13(4-6-14)22-11-18-10-19-22/h3-7,10-12,23H,2,8-9H2,1H3,(H,20,24)/t12-/m0/s1
InChIKeyKBFGJCMZOGTUGW-LBPRGKRZSA-N
MW357.37 g/mol
LogP1.34
Rot. Bonds8

About N-[(2S)-1-hydroxybutan-2-yl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide

N-[(2S)-1-hydroxybutan-2-yl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 95230595) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
PubChem CID95230595
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCC[C@@H](CO)NC(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1
InChIInChI=1S/C17H19N5O4/c1-2-12(8-23)20-17(24)16-7-15(26-21-16)9-25-14-5-3-13(4-6-14)22-11-18-10-19-22/h3-7,10-12,23H,2,8-9H2,1H3,(H,20,24)/t12-/m0/s1
InChIKeyKBFGJCMZOGTUGW-LBPRGKRZSA-N
XLogP1.34
TPSA115.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(2S)-1-hydroxybutan-2-yl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-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

Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 95230596
N-(3-hydroxybutyl)-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 56758564
N-(2,3-dihydro-1H-inden-2-yl)-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 56718711
N-(1-phenylcyclopropyl)-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 42113604
N-(1-benzothiophen-2-ylmethyl)-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 42510623
N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 45188937
[(3R)-3-(diethylamino)pyrrolidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
CID 42565982
[(3S)-3-hydroxypyrrolidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
CID 56705321
5-[(3,4-difluorophenoxy)methyl]-N-(1,3-dihydroxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 56758678
N-methyl-N-[(3R)-oxolan-3-yl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 42594495
(3-methoxypiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
CID 24790199
(4-pyridin-4-ylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
CID 42533021

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide (CID 95230595) is N-[(2S)-1-hydroxybutan-2-yl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide is CC[C@@H](CO)NC(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is KBFGJCMZOGTUGW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N5O4/c1-2-12(8-23)20-17(24)16-7-15(26-21-16)9-25-14-5-3-13(4-6-14)22-11-18-10-19-22/h3-7,10-12,23H,2,8-9H2,1H3,(H,20,24)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
N-[(2S)-1-hydroxybutan-2-yl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95230595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).