3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine

C9H16N2O — CID 81171315

IUPAC3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine
SMILESCC(C)C(C)NCc1ccon1
InChIInChI=1S/C9H16N2O/c1-7(2)8(3)10-6-9-4-5-12-11-9/h4-5,7-8,10H,6H2,1-3H3
InChIKeySXDFXXGNBLXLBP-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.81
Rot. Bonds4

About 3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine

3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine (PubChem CID 81171315) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine
PubChem CID81171315
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine
SMILESCC(C)C(C)NCc1ccon1
InChIInChI=1S/C9H16N2O/c1-7(2)8(3)10-6-9-4-5-12-11-9/h4-5,7-8,10H,6H2,1-3H3
InChIKeySXDFXXGNBLXLBP-UHFFFAOYSA-N
XLogP1.81
TPSA38.06 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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine?
The IUPAC name of 3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine (CID 81171315) is 3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine.
What is the SMILES notation for 3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine?
The canonical SMILES for 3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine is CC(C)C(C)NCc1ccon1.
What is the InChIKey of 3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine?
The InChIKey is SXDFXXGNBLXLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)8(3)10-6-9-4-5-12-11-9/h4-5,7-8,10H,6H2,1-3H3.
What are the key properties of 3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine?
3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine has a molecular weight of 168.24 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 81171315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).