N-(1,2-oxazol-3-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide

C12H11N3O3S — CID 52907483

IUPACN-(1,2-oxazol-3-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(Nc1ccon1)C1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C12H11N3O3S/c16-11(13-10-3-4-18-14-10)8-6-15(7-8)12(17)9-2-1-5-19-9/h1-5,8H,6-7H2,(H,13,14,16)
InChIKeyYNCWYFDXRTZSOT-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.45
Rot. Bonds3

About N-(1,2-oxazol-3-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide

N-(1,2-oxazol-3-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (PubChem CID 52907483) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is N-(1,2-oxazol-3-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
PubChem CID52907483
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC NameN-(1,2-oxazol-3-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(Nc1ccon1)C1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C12H11N3O3S/c16-11(13-10-3-4-18-14-10)8-6-15(7-8)12(17)9-2-1-5-19-9/h1-5,8H,6-7H2,(H,13,14,16)
InChIKeyYNCWYFDXRTZSOT-UHFFFAOYSA-N
XLogP1.45
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-(1,2-oxazol-3-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (CID 52907483) is N-(1,2-oxazol-3-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-3-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-(1,2-oxazol-3-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is O=C(Nc1ccon1)C1CN(C(=O)c2cccs2)C1.
What is the InChIKey of N-(1,2-oxazol-3-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is YNCWYFDXRTZSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c16-11(13-10-3-4-18-14-10)8-6-15(7-8)12(17)9-2-1-5-19-9/h1-5,8H,6-7H2,(H,13,14,16).
What are the key properties of N-(1,2-oxazol-3-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
N-(1,2-oxazol-3-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 277.31 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 52907483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).