3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propan-1-amine

C11H20N2O — CID 75366155

IUPAC3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propan-1-amine
SMILESCc1nc(C(C)(C)C)oc1CCCN
InChIInChI=1S/C11H20N2O/c1-8-9(6-5-7-12)14-10(13-8)11(2,3)4/h5-7,12H2,1-4H3
InChIKeySRVMYEPMRLEUSG-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.17
Rot. Bonds3

About 3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propan-1-amine

3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propan-1-amine (PubChem CID 75366155) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propan-1-amine
PubChem CID75366155
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propan-1-amine
SMILESCc1nc(C(C)(C)C)oc1CCCN
InChIInChI=1S/C11H20N2O/c1-8-9(6-5-7-12)14-10(13-8)11(2,3)4/h5-7,12H2,1-4H3
InChIKeySRVMYEPMRLEUSG-UHFFFAOYSA-N
XLogP2.17
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propan-1-amine?
The IUPAC name of 3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propan-1-amine (CID 75366155) is 3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propan-1-amine is Cc1nc(C(C)(C)C)oc1CCCN.
What is the InChIKey of 3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propan-1-amine?
The InChIKey is SRVMYEPMRLEUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8-9(6-5-7-12)14-10(13-8)11(2,3)4/h5-7,12H2,1-4H3.
What are the key properties of 3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propan-1-amine?
3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propan-1-amine has a molecular weight of 196.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propan-1-amine is sourced from PubChem (CID 75366155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).