N-(azetidin-3-yl)-N-methyl-1,2-oxazole-5-carboxamide

C8H11N3O2 — CID 66186851

IUPACN-(azetidin-3-yl)-N-methyl-1,2-oxazole-5-carboxamide
SMILESCN(C(=O)c1ccno1)C1CNC1
InChIInChI=1S/C8H11N3O2/c1-11(6-4-9-5-6)8(12)7-2-3-10-13-7/h2-3,6,9H,4-5H2,1H3
InChIKeyBZIDYXGKCVXTAT-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.28
Rot. Bonds2

About N-(azetidin-3-yl)-N-methyl-1,2-oxazole-5-carboxamide

N-(azetidin-3-yl)-N-methyl-1,2-oxazole-5-carboxamide (PubChem CID 66186851) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-methyl-1,2-oxazole-5-carboxamide
PubChem CID66186851
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-(azetidin-3-yl)-N-methyl-1,2-oxazole-5-carboxamide
SMILESCN(C(=O)c1ccno1)C1CNC1
InChIInChI=1S/C8H11N3O2/c1-11(6-4-9-5-6)8(12)7-2-3-10-13-7/h2-3,6,9H,4-5H2,1H3
InChIKeyBZIDYXGKCVXTAT-UHFFFAOYSA-N
XLogP-0.28
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-piperidin-3-yl-1,2-oxazole-5-carboxamide
CID 63643873
N-(azetidin-3-yl)-5-chloro-N-methylfuran-2-carboxamide
CID 66185904
N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide
CID 59598853
N-(hydroxymethyl)-N-methyl-1,2-oxazole-5-carboxamide
CID 58418442
ethyl 2-[cyclopropyl(1,2-oxazole-5-carbonyl)amino]acetate
CID 55005865
N-(azetidin-3-yl)-4-iodo-N-methylbenzamide
CID 66186385
N,3-dimethyl-N-pyrrolidin-3-yl-1,2-oxazole-5-carboxamide
CID 63297787
N-(azetidin-3-yl)-2,4-difluoro-N,5-dimethylbenzamide
CID 113396529
N,3-dimethyl-N-piperidin-3-yl-1,2-oxazole-5-carboxamide
CID 63641758
N-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide
CID 79218052
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
N-methyl-N-(5-methyl-2-pyridinyl)-1,2-oxazole-5-carboxamide
CID 59676611

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-N-methyl-1,2-oxazole-5-carboxamide (CID 66186851) is N-(azetidin-3-yl)-N-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-N-methyl-1,2-oxazole-5-carboxamide is CN(C(=O)c1ccno1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is BZIDYXGKCVXTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-11(6-4-9-5-6)8(12)7-2-3-10-13-7/h2-3,6,9H,4-5H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-methyl-1,2-oxazole-5-carboxamide?
N-(azetidin-3-yl)-N-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 181.19 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 66186851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).