N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-5-carboxamide

C9H12N2O3 — CID 115825220

IUPACN-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESCC1(CNC(=O)c2ccno2)COC1
InChIInChI=1S/C9H12N2O3/c1-9(5-13-6-9)4-10-8(12)7-2-3-11-14-7/h2-3H,4-6H2,1H3,(H,10,12)
InChIKeyVEXGRPNDWPUHEC-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.44
Rot. Bonds3

About N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-5-carboxamide

N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 115825220) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID115825220
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESCC1(CNC(=O)c2ccno2)COC1
InChIInChI=1S/C9H12N2O3/c1-9(5-13-6-9)4-10-8(12)7-2-3-11-14-7/h2-3H,4-6H2,1H3,(H,10,12)
InChIKeyVEXGRPNDWPUHEC-UHFFFAOYSA-N
XLogP0.44
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide
CID 65123055
N-(1-adamantylmethyl)-1,2-oxazole-5-carboxamide
CID 143497665
2-(4-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78957558
N-[(3-methyloxetan-3-yl)methyl]pyridine-3-carboxamide
CID 78956674
5-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 78956870
N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide
CID 75368084
2-(4-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956667
2-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 80710754
5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide
CID 78957062
4-(difluoromethoxy)-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78956822
5-ethyl-N-[(3-methyloxetan-3-yl)methyl]thiophene-2-carboxamide
CID 78957474
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 90535673

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-5-carboxamide (CID 115825220) is N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-5-carboxamide is CC1(CNC(=O)c2ccno2)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is VEXGRPNDWPUHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-9(5-13-6-9)4-10-8(12)7-2-3-11-14-7/h2-3H,4-6H2,1H3,(H,10,12).
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-5-carboxamide?
N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 196.21 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 115825220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).