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

C9H16N2O — CID 79139142

IUPAC(5-pentan-2-yl-1,3-oxazol-4-yl)methanamine
SMILESCCCC(C)c1ocnc1CN
InChIInChI=1S/C9H16N2O/c1-3-4-7(2)9-8(5-10)11-6-12-9/h6-7H,3-5,10H2,1-2H3
InChIKeyQGRQVXRAGXQHSC-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.04
Rot. Bonds4

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

(5-pentan-2-yl-1,3-oxazol-4-yl)methanamine (PubChem CID 79139142) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (5-pentan-2-yl-1,3-oxazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-pentan-2-yl-1,3-oxazol-4-yl)methanamine
PubChem CID79139142
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(5-pentan-2-yl-1,3-oxazol-4-yl)methanamine
SMILESCCCC(C)c1ocnc1CN
InChIInChI=1S/C9H16N2O/c1-3-4-7(2)9-8(5-10)11-6-12-9/h6-7H,3-5,10H2,1-2H3
InChIKeyQGRQVXRAGXQHSC-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-pentan-2-yl-1,3-oxazol-4-yl)methanamine?
The IUPAC name of (5-pentan-2-yl-1,3-oxazol-4-yl)methanamine (CID 79139142) is (5-pentan-2-yl-1,3-oxazol-4-yl)methanamine.
What is the SMILES notation for (5-pentan-2-yl-1,3-oxazol-4-yl)methanamine?
The canonical SMILES for (5-pentan-2-yl-1,3-oxazol-4-yl)methanamine is CCCC(C)c1ocnc1CN.
What is the InChIKey of (5-pentan-2-yl-1,3-oxazol-4-yl)methanamine?
The InChIKey is QGRQVXRAGXQHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-4-7(2)9-8(5-10)11-6-12-9/h6-7H,3-5,10H2,1-2H3.
What are the key properties of (5-pentan-2-yl-1,3-oxazol-4-yl)methanamine?
(5-pentan-2-yl-1,3-oxazol-4-yl)methanamine has a molecular weight of 168.24 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-pentan-2-yl-1,3-oxazol-4-yl)methanamine is sourced from PubChem (CID 79139142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).