(3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine

C9H16N2O — CID 66643513

IUPAC(3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine
SMILESCCCCc1noc(C)c1CN
InChIInChI=1S/C9H16N2O/c1-3-4-5-9-8(6-10)7(2)12-11-9/h3-6,10H2,1-2H3
InChIKeyIWBTUVQWBDLMSE-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.78
Rot. Bonds4

About (3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine

(3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine (PubChem CID 66643513) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine
PubChem CID66643513
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine
SMILESCCCCc1noc(C)c1CN
InChIInChI=1S/C9H16N2O/c1-3-4-5-9-8(6-10)7(2)12-11-9/h3-6,10H2,1-2H3
InChIKeyIWBTUVQWBDLMSE-UHFFFAOYSA-N
XLogP1.78
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine?
The IUPAC name of (3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine (CID 66643513) is (3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine.
What is the SMILES notation for (3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine?
The canonical SMILES for (3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine is CCCCc1noc(C)c1CN.
What is the InChIKey of (3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine?
The InChIKey is IWBTUVQWBDLMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-4-5-9-8(6-10)7(2)12-11-9/h3-6,10H2,1-2H3.
What are the key properties of (3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine?
(3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine has a molecular weight of 168.24 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine is sourced from PubChem (CID 66643513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).