2-(1,2-oxazol-4-yl)butan-1-amine

C7H12N2O — CID 82418190

IUPAC2-(1,2-oxazol-4-yl)butan-1-amine
SMILESCCC(CN)c1cnoc1
InChIInChI=1S/C7H12N2O/c1-2-6(3-8)7-4-9-10-5-7/h4-6H,2-3,8H2,1H3
InChIKeyXAGFNXQOEVGHTB-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.13
Rot. Bonds3

About 2-(1,2-oxazol-4-yl)butan-1-amine

2-(1,2-oxazol-4-yl)butan-1-amine (PubChem CID 82418190) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-(1,2-oxazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name2-(1,2-oxazol-4-yl)butan-1-amine
PubChem CID82418190
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-(1,2-oxazol-4-yl)butan-1-amine
SMILESCCC(CN)c1cnoc1
InChIInChI=1S/C7H12N2O/c1-2-6(3-8)7-4-9-10-5-7/h4-6H,2-3,8H2,1H3
InChIKeyXAGFNXQOEVGHTB-UHFFFAOYSA-N
XLogP1.13
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylbutan-2-yl)-1,2-oxazole
CID 146230440
2-(2,6-dimethyl-4-pyridinyl)butan-1-amine
CID 82409825
(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732
2-(3,4-difluorophenyl)butan-1-amine
CID 82075197
2-(5-methylthiophen-3-yl)butan-1-amine
CID 82412623
2-(1H-1,2,4-triazol-5-yl)butan-1-amine
CID 56973910
4-pentan-3-yloxadiazole
CID 173019536
2-(1-methyltetrazol-5-yl)butan-1-amine
CID 83635435
5-ethyl-2-phenylheptan-1-amine
CID 82935011
2-(2-ethyl-3H-benzimidazol-5-yl)butan-1-amine
CID 82493436
4-methyl-2-(4-methylphenyl)hexan-1-amine
CID 79436258
3-methyl-4-(1,2-oxazol-4-yl)butan-2-one
CID 79429663

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-4-yl)butan-1-amine?
The IUPAC name of 2-(1,2-oxazol-4-yl)butan-1-amine (CID 82418190) is 2-(1,2-oxazol-4-yl)butan-1-amine.
What is the SMILES notation for 2-(1,2-oxazol-4-yl)butan-1-amine?
The canonical SMILES for 2-(1,2-oxazol-4-yl)butan-1-amine is CCC(CN)c1cnoc1.
What is the InChIKey of 2-(1,2-oxazol-4-yl)butan-1-amine?
The InChIKey is XAGFNXQOEVGHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-6(3-8)7-4-9-10-5-7/h4-6H,2-3,8H2,1H3.
What are the key properties of 2-(1,2-oxazol-4-yl)butan-1-amine?
2-(1,2-oxazol-4-yl)butan-1-amine has a molecular weight of 140.19 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-4-yl)butan-1-amine is sourced from PubChem (CID 82418190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).