1-(4-methyl-1,3-oxazol-2-yl)butan-1-amine

C8H14N2O — CID 82416558

IUPAC1-(4-methyl-1,3-oxazol-2-yl)butan-1-amine
SMILESCCCC(N)c1nc(C)co1
InChIInChI=1S/C8H14N2O/c1-3-4-7(9)8-10-6(2)5-11-8/h5,7H,3-4,9H2,1-2H3
InChIKeyCVBYQYQTCBMZBX-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.78
Rot. Bonds3

About 1-(4-methyl-1,3-oxazol-2-yl)butan-1-amine

1-(4-methyl-1,3-oxazol-2-yl)butan-1-amine (PubChem CID 82416558) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(4-methyl-1,3-oxazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(4-methyl-1,3-oxazol-2-yl)butan-1-amine
PubChem CID82416558
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-(4-methyl-1,3-oxazol-2-yl)butan-1-amine
SMILESCCCC(N)c1nc(C)co1
InChIInChI=1S/C8H14N2O/c1-3-4-7(9)8-10-6(2)5-11-8/h5,7H,3-4,9H2,1-2H3
InChIKeyCVBYQYQTCBMZBX-UHFFFAOYSA-N
XLogP1.78
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-pentan-2-yl-1,3-oxazole
CID 145099076
3-amino-1-(4-methyl-1,3-oxazol-2-yl)propan-1-ol
CID 82416174
2-(1-aminobutyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide
CID 3866343
2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 5156440
1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43670386
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630134
(1S)-1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565554
2-(1-aminobutyl)-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
CID 3795383
1-(5-methylfuran-3-yl)butan-1-amine
CID 82416831
2-(1-aminobutyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 4996645
(1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565568
2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide
CID 5160787

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-oxazol-2-yl)butan-1-amine?
The IUPAC name of 1-(4-methyl-1,3-oxazol-2-yl)butan-1-amine (CID 82416558) is 1-(4-methyl-1,3-oxazol-2-yl)butan-1-amine.
What is the SMILES notation for 1-(4-methyl-1,3-oxazol-2-yl)butan-1-amine?
The canonical SMILES for 1-(4-methyl-1,3-oxazol-2-yl)butan-1-amine is CCCC(N)c1nc(C)co1.
What is the InChIKey of 1-(4-methyl-1,3-oxazol-2-yl)butan-1-amine?
The InChIKey is CVBYQYQTCBMZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-4-7(9)8-10-6(2)5-11-8/h5,7H,3-4,9H2,1-2H3.
What are the key properties of 1-(4-methyl-1,3-oxazol-2-yl)butan-1-amine?
1-(4-methyl-1,3-oxazol-2-yl)butan-1-amine has a molecular weight of 154.21 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-oxazol-2-yl)butan-1-amine is sourced from PubChem (CID 82416558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).