[5-(2-methylpropyl)-4-propan-2-yl-1,3-oxazol-2-yl]methanamine

C11H20N2O — CID 82399380

IUPAC[5-(2-methylpropyl)-4-propan-2-yl-1,3-oxazol-2-yl]methanamine
SMILESCC(C)Cc1oc(CN)nc1C(C)C
InChIInChI=1S/C11H20N2O/c1-7(2)5-9-11(8(3)4)13-10(6-12)14-9/h7-8H,5-6,12H2,1-4H3
InChIKeyDKSKZYLYMUBUIY-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.46
Rot. Bonds4

About [5-(2-methylpropyl)-4-propan-2-yl-1,3-oxazol-2-yl]methanamine

[5-(2-methylpropyl)-4-propan-2-yl-1,3-oxazol-2-yl]methanamine (PubChem CID 82399380) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is [5-(2-methylpropyl)-4-propan-2-yl-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methylpropyl)-4-propan-2-yl-1,3-oxazol-2-yl]methanamine
PubChem CID82399380
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name[5-(2-methylpropyl)-4-propan-2-yl-1,3-oxazol-2-yl]methanamine
SMILESCC(C)Cc1oc(CN)nc1C(C)C
InChIInChI=1S/C11H20N2O/c1-7(2)5-9-11(8(3)4)13-10(6-12)14-9/h7-8H,5-6,12H2,1-4H3
InChIKeyDKSKZYLYMUBUIY-UHFFFAOYSA-N
XLogP2.46
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methylpropyl)-4-propan-2-yl-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(2-methylpropyl)-4-propan-2-yl-1,3-oxazol-2-yl]methanamine (CID 82399380) is [5-(2-methylpropyl)-4-propan-2-yl-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(2-methylpropyl)-4-propan-2-yl-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(2-methylpropyl)-4-propan-2-yl-1,3-oxazol-2-yl]methanamine is CC(C)Cc1oc(CN)nc1C(C)C.
What is the InChIKey of [5-(2-methylpropyl)-4-propan-2-yl-1,3-oxazol-2-yl]methanamine?
The InChIKey is DKSKZYLYMUBUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-7(2)5-9-11(8(3)4)13-10(6-12)14-9/h7-8H,5-6,12H2,1-4H3.
What are the key properties of [5-(2-methylpropyl)-4-propan-2-yl-1,3-oxazol-2-yl]methanamine?
[5-(2-methylpropyl)-4-propan-2-yl-1,3-oxazol-2-yl]methanamine has a molecular weight of 196.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpropyl)-4-propan-2-yl-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 82399380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).