2-[(1-methylimidazol-2-yl)methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol

C14H22N4O2 — CID 91777683

IUPAC2-[(1-methylimidazol-2-yl)methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol
SMILESCC(C)c1nc(CN(CCO)Cc2nccn2C)co1
InChIInChI=1S/C14H22N4O2/c1-11(2)14-16-12(10-20-14)8-18(6-7-19)9-13-15-4-5-17(13)3/h4-5,10-11,19H,6-9H2,1-3H3
InChIKeyCRPWTPDYPUCIOO-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.53
Rot. Bonds7

About 2-[(1-methylimidazol-2-yl)methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol

2-[(1-methylimidazol-2-yl)methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol (PubChem CID 91777683) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol
PubChem CID91777683
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[(1-methylimidazol-2-yl)methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol
SMILESCC(C)c1nc(CN(CCO)Cc2nccn2C)co1
InChIInChI=1S/C14H22N4O2/c1-11(2)14-16-12(10-20-14)8-18(6-7-19)9-13-15-4-5-17(13)3/h4-5,10-11,19H,6-9H2,1-3H3
InChIKeyCRPWTPDYPUCIOO-UHFFFAOYSA-N
XLogP1.53
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(1-methylimidazol-2-yl)methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-2-yl)methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol?
The IUPAC name of 2-[(1-methylimidazol-2-yl)methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol (CID 91777683) is 2-[(1-methylimidazol-2-yl)methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol is CC(C)c1nc(CN(CCO)Cc2nccn2C)co1.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol?
The InChIKey is CRPWTPDYPUCIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11(2)14-16-12(10-20-14)8-18(6-7-19)9-13-15-4-5-17(13)3/h4-5,10-11,19H,6-9H2,1-3H3.
What are the key properties of 2-[(1-methylimidazol-2-yl)methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol?
2-[(1-methylimidazol-2-yl)methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol has a molecular weight of 278.36 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-2-yl)methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 91777683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).