2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methylbutan-1-ol

C11H20N2O2 — CID 79248987

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methylbutan-1-ol
SMILESCc1nc(CNC(CO)C(C)C)oc1C
InChIInChI=1S/C11H20N2O2/c1-7(2)10(6-14)12-5-11-13-8(3)9(4)15-11/h7,10,12,14H,5-6H2,1-4H3
InChIKeyQHKUMWWADDTUFS-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.40
Rot. Bonds5

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methylbutan-1-ol

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methylbutan-1-ol (PubChem CID 79248987) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methylbutan-1-ol
PubChem CID79248987
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methylbutan-1-ol
SMILESCc1nc(CNC(CO)C(C)C)oc1C
InChIInChI=1S/C11H20N2O2/c1-7(2)10(6-14)12-5-11-13-8(3)9(4)15-11/h7,10,12,14H,5-6H2,1-4H3
InChIKeyQHKUMWWADDTUFS-UHFFFAOYSA-N
XLogP1.40
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methylbutan-1-ol?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methylbutan-1-ol (CID 79248987) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methylbutan-1-ol is Cc1nc(CNC(CO)C(C)C)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methylbutan-1-ol?
The InChIKey is QHKUMWWADDTUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-7(2)10(6-14)12-5-11-13-8(3)9(4)15-11/h7,10,12,14H,5-6H2,1-4H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methylbutan-1-ol?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methylbutan-1-ol has a molecular weight of 212.29 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 79248987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).