N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide

C10H14N2O3 — CID 115877949

IUPACN-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2(CO)CCC2)on1
InChIInChI=1S/C10H14N2O3/c1-7-5-8(15-12-7)9(14)11-10(6-13)3-2-4-10/h5,13H,2-4,6H2,1H3,(H,11,14)
InChIKeyGOTKPDPBZPQARA-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.63
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 115877949) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID115877949
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2(CO)CCC2)on1
InChIInChI=1S/C10H14N2O3/c1-7-5-8(15-12-7)9(14)11-10(6-13)3-2-4-10/h5,13H,2-4,6H2,1H3,(H,11,14)
InChIKeyGOTKPDPBZPQARA-UHFFFAOYSA-N
XLogP0.63
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-N-propylisoxazole-5-carboxamide
CID 9551512
3-methyl-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 3245069
N-cyclopentyl-3-methylisoxazole-5-carboxamide
CID 5308964
N-(sec-butyl)-3-methylisoxazole-5-carboxamide
CID 9551511
N-butyl-3-methyl-1,2-oxazole-5-carboxamide
CID 16194127
Butanoic acid, 4-(((3-methyl-5-isoxazolyl)carbonyl)amino)-
CID 189689
3-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]-1,2-oxazole-5-carboxamide
CID 95772134
N-tert-butyl-3-methyl-1,2-oxazole-5-carboxamide
CID 6622679
3-methyl-N-[[(3R)-oxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 93736612
4-Methoxy-3-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylamino]butan-1-ol
CID 71922473
3-butan-2-yl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2-oxazole-5-carboxamide
CID 86789001
N-(1,3-dihydroxy-2-methylpropan-2-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 86798532

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 115877949) is N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC2(CO)CCC2)on1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is GOTKPDPBZPQARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7-5-8(15-12-7)9(14)11-10(6-13)3-2-4-10/h5,13H,2-4,6H2,1H3,(H,11,14).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 210.23 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 115877949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).