3-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]propan-1-amine

C11H18N2O — CID 103167128

IUPAC3-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(CC2CCC2)o1
InChIInChI=1S/C11H18N2O/c12-6-2-5-11-13-8-10(14-11)7-9-3-1-4-9/h8-9H,1-7,12H2
InChIKeyBVTFTZWUMUDVQQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.91
Rot. Bonds5

About 3-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]propan-1-amine

3-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 103167128) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID103167128
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(CC2CCC2)o1
InChIInChI=1S/C11H18N2O/c12-6-2-5-11-13-8-10(14-11)7-9-3-1-4-9/h8-9H,1-7,12H2
InChIKeyBVTFTZWUMUDVQQ-UHFFFAOYSA-N
XLogP1.91
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-5-pentyloxazole
CID 69479999
14-Oxa-12-azabicyclo[9.2.1]tetradeca-1(13),11-diene
CID 12637118
2-methyl-N-[3-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-2-yl]propyl]propan-1-amine
CID 65713642
3-[5-(3,3,3-Trifluoropropyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65715458
2-methyl-N-[[5-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81933241
N-[2-[5-[3-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 81933246
2-methyl-N-[[5-[3-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81933336
N-[[5-[3-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]methyl]ethanamine
CID 81933832
N-[[5-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]methyl]ethanamine
CID 81933849
1-[5-(4,4-difluorocyclohexyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 81933850
N-[[5-(4,4-difluorocyclohexyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81933870
N-[[5-[3-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81933891

Frequently Asked Questions

What is the IUPAC name of 3-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]propan-1-amine (CID 103167128) is 3-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]propan-1-amine is NCCCc1ncc(CC2CCC2)o1.
What is the InChIKey of 3-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is BVTFTZWUMUDVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-6-2-5-11-13-8-10(14-11)7-9-3-1-4-9/h8-9H,1-7,12H2.
What are the key properties of 3-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]propan-1-amine?
3-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 103167128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).