N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-hydroxy-3-(hydroxymethyl)azetidine-1-carboxamide

C16H21N3O4 — CID 126839938

IUPACN-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-hydroxy-3-(hydroxymethyl)azetidine-1-carboxamide
SMILESCC(C)(C)c1nc2cc(NC(=O)N3CC(O)(CO)C3)ccc2o1
InChIInChI=1S/C16H21N3O4/c1-15(2,3)13-18-11-6-10(4-5-12(11)23-13)17-14(21)19-7-16(22,8-19)9-20/h4-6,20,22H,7-9H2,1-3H3,(H,17,21)
InChIKeyBBKZFNOMVPJXAO-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.70
Rot. Bonds2

About N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-hydroxy-3-(hydroxymethyl)azetidine-1-carboxamide

N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-hydroxy-3-(hydroxymethyl)azetidine-1-carboxamide (PubChem CID 126839938) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-hydroxy-3-(hydroxymethyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-hydroxy-3-(hydroxymethyl)azetidine-1-carboxamide
PubChem CID126839938
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-hydroxy-3-(hydroxymethyl)azetidine-1-carboxamide
SMILESCC(C)(C)c1nc2cc(NC(=O)N3CC(O)(CO)C3)ccc2o1
InChIInChI=1S/C16H21N3O4/c1-15(2,3)13-18-11-6-10(4-5-12(11)23-13)17-14(21)19-7-16(22,8-19)9-20/h4-6,20,22H,7-9H2,1-3H3,(H,17,21)
InChIKeyBBKZFNOMVPJXAO-UHFFFAOYSA-N
XLogP1.70
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-hydroxy-3-(hydroxymethyl)azetidine-1-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

1-[[2-(2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122079827
4-[(2-tert-butyl-1,3-benzoxazol-5-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672739
4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide
CID 120560417
1-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(1,3-dioxolan-4-ylmethyl)urea
CID 126821455
2-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methoxypropanamide
CID 120985693
3-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-phenylpropanamide;hydrochloride
CID 119949951
N-(2-tert-butyl-1,3-benzoxazol-5-yl)pyridine-2-carboxamide
CID 46416181
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-tert-butyl-1,3-benzoxazol-5-yl)urea
CID 60551011
(3S)-N-[2-(2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]-3-hydroxypyrrolidine-1-carboxamide
CID 71992250
1-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(1-hydroxypent-4-yn-2-yl)urea
CID 126820715
1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxylic acid
CID 117401713
(2S)-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 99564424

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-hydroxy-3-(hydroxymethyl)azetidine-1-carboxamide?
The IUPAC name of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-hydroxy-3-(hydroxymethyl)azetidine-1-carboxamide (CID 126839938) is N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-hydroxy-3-(hydroxymethyl)azetidine-1-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-hydroxy-3-(hydroxymethyl)azetidine-1-carboxamide?
The canonical SMILES for N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-hydroxy-3-(hydroxymethyl)azetidine-1-carboxamide is CC(C)(C)c1nc2cc(NC(=O)N3CC(O)(CO)C3)ccc2o1.
What is the InChIKey of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-hydroxy-3-(hydroxymethyl)azetidine-1-carboxamide?
The InChIKey is BBKZFNOMVPJXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-15(2,3)13-18-11-6-10(4-5-12(11)23-13)17-14(21)19-7-16(22,8-19)9-20/h4-6,20,22H,7-9H2,1-3H3,(H,17,21).
What are the key properties of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-hydroxy-3-(hydroxymethyl)azetidine-1-carboxamide?
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-hydroxy-3-(hydroxymethyl)azetidine-1-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-hydroxy-3-(hydroxymethyl)azetidine-1-carboxamide is sourced from PubChem (CID 126839938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).