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

C12H22N2O3 — CID 71976026

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol
SMILESCOCC(C)(CCO)NCc1c(C)noc1C
InChIInChI=1S/C12H22N2O3/c1-9-11(10(2)17-14-9)7-13-12(3,5-6-15)8-16-4/h13,15H,5-8H2,1-4H3
InChIKeyHYJNTMSHBQURFP-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.17
Rot. Bonds7

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol (PubChem CID 71976026) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol
PubChem CID71976026
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol
SMILESCOCC(C)(CCO)NCc1c(C)noc1C
InChIInChI=1S/C12H22N2O3/c1-9-11(10(2)17-14-9)7-13-12(3,5-6-15)8-16-4/h13,15H,5-8H2,1-4H3
InChIKeyHYJNTMSHBQURFP-UHFFFAOYSA-N
XLogP1.17
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol (CID 71976026) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol is COCC(C)(CCO)NCc1c(C)noc1C.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol?
The InChIKey is HYJNTMSHBQURFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9-11(10(2)17-14-9)7-13-12(3,5-6-15)8-16-4/h13,15H,5-8H2,1-4H3.
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol has a molecular weight of 242.32 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 71976026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).