N-(cyclobutylmethyl)-1,2-oxazole-4-carboxamide

C9H12N2O2 — CID 130658689

IUPACN-(cyclobutylmethyl)-1,2-oxazole-4-carboxamide
SMILESO=C(NCC1CCC1)c1cnoc1
InChIInChI=1S/C9H12N2O2/c12-9(8-5-11-13-6-8)10-4-7-2-1-3-7/h5-7H,1-4H2,(H,10,12)
InChIKeyJHZJXNALEUYVPB-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.20
Rot. Bonds3

About N-(cyclobutylmethyl)-1,2-oxazole-4-carboxamide

N-(cyclobutylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 130658689) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID130658689
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-(cyclobutylmethyl)-1,2-oxazole-4-carboxamide
SMILESO=C(NCC1CCC1)c1cnoc1
InChIInChI=1S/C9H12N2O2/c12-9(8-5-11-13-6-8)10-4-7-2-1-3-7/h5-7H,1-4H2,(H,10,12)
InChIKeyJHZJXNALEUYVPB-UHFFFAOYSA-N
XLogP1.20
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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6-amino-5-chloro-N-(cyclobutylmethyl)pyridine-3-carboxamide
CID 62155457
N-(cyclopentylmethyl)-4-(1,2,4-oxadiazol-5-yl)benzamide
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N-(cyclopentylmethyl)-4-sulfanylbenzamide
CID 107022611
N-[2-(cyclopentylmethylamino)-2-oxoethyl]furan-3-carboxamide
CID 38304482
2-chloro-N-(cyclobutylmethyl)furan-3-carboxamide
CID 106685401
N-(cyclobutylmethyl)-4-sulfamoylbenzamide
CID 43298916
5-bromo-N-(cyclobutylmethyl)thiophene-3-carboxamide
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3-amino-N-(cyclobutylmethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-1,2-oxazole-4-carboxamide (CID 130658689) is N-(cyclobutylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-1,2-oxazole-4-carboxamide is O=C(NCC1CCC1)c1cnoc1.
What is the InChIKey of N-(cyclobutylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is JHZJXNALEUYVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-9(8-5-11-13-6-8)10-4-7-2-1-3-7/h5-7H,1-4H2,(H,10,12).
What are the key properties of N-(cyclobutylmethyl)-1,2-oxazole-4-carboxamide?
N-(cyclobutylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 130658689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).