N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide

C9H13N3O2 — CID 127017043

IUPACN-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC1CNC1
InChIInChI=1S/C9H13N3O2/c1-6-8(14-5-12-6)9(13)11-4-7-2-10-3-7/h5,7,10H,2-4H2,1H3,(H,11,13)
InChIKeyMLHALPBZEWAVQA-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.07
Rot. Bonds3

About N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide

N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 127017043) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID127017043
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC1CNC1
InChIInChI=1S/C9H13N3O2/c1-6-8(14-5-12-6)9(13)11-4-7-2-10-3-7/h5,7,10H,2-4H2,1H3,(H,11,13)
InChIKeyMLHALPBZEWAVQA-UHFFFAOYSA-N
XLogP-0.07
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorocyclopentyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 114303022
4-methyl-N-piperidin-3-yl-1,3-oxazole-5-carboxamide
CID 81471254
N-(3-amino-2-methylpropyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 83619478
N-(4-aminocyclohexyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 81478804
4-methyl-N-pent-3-ynyl-1,3-oxazole-5-carboxamide
CID 104581007
N-[[1-(bromomethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 115364372
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 115364085
4-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]-1,3-oxazole-5-carboxamide
CID 146066321
N-(2-bromo-3-ethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 106288404
N-ethoxy-4-methyl-1,3-oxazole-5-carboxamide
CID 79486908
N-(2-hydroxy-2-phenylethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 79881793
N-(2-chloro-4,4-dimethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 107157028

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide (CID 127017043) is N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NCC1CNC1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is MLHALPBZEWAVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-8(14-5-12-6)9(13)11-4-7-2-10-3-7/h5,7,10H,2-4H2,1H3,(H,11,13).
What are the key properties of N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide?
N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 195.22 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 127017043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).