1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-3-methoxypropan-2-ol

C13H24N2O3 — CID 62015365

IUPAC1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)11-6-14-12(18-11)8-15(4)7-10(16)9-17-5/h6,10,16H,7-9H2,1-5H3
InChIKeyBRGWJFFRFXVTJH-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.41
Rot. Bonds6

About 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-3-methoxypropan-2-ol

1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-3-methoxypropan-2-ol (PubChem CID 62015365) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-3-methoxypropan-2-ol
PubChem CID62015365
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)11-6-14-12(18-11)8-15(4)7-10(16)9-17-5/h6,10,16H,7-9H2,1-5H3
InChIKeyBRGWJFFRFXVTJH-UHFFFAOYSA-N
XLogP1.41
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-3-methoxypropan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

5-(1,1-Dimethylethyl)-2-oxazolemethanol
CID 22731089
[5-(Propan-2-yl)-1,3-oxazol-2-yl]methanol
CID 90380830
(5-Ethyl-1,3-oxazol-2-yl)methanol
CID 105427307
(1-((5-(Tert-butyl)oxazol-2-yl)methyl)piperidin-4-yl)methanol
CID 52274438
(S)-(1-((5-(tert-Butyl)oxazol-2-yl)methyl)pyrrolidin-2-yl)methanol
CID 53574116
5-Tert-butyl-2-methyl-1,3-oxazole
CID 12639617
2,5-Ditert-butyl-1,3-oxazole
CID 12639618
5-Tert-butyl-2-propan-2-yl-1,3-oxazole
CID 23571128
methyl (6R)-4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-6-methylmorpholine-2-carboxylate
CID 71919332
4-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide
CID 75471043
5-(tert-Butyl)oxazole-2-carboxylic acid
CID 11030244
N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-2,2-difluoro-N-methylethanamine
CID 75436468

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-3-methoxypropan-2-ol (CID 62015365) is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)Cc1ncc(C(C)(C)C)o1.
What is the InChIKey of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-3-methoxypropan-2-ol?
The InChIKey is BRGWJFFRFXVTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,3)11-6-14-12(18-11)8-15(4)7-10(16)9-17-5/h6,10,16H,7-9H2,1-5H3.
What are the key properties of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-3-methoxypropan-2-ol?
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-3-methoxypropan-2-ol has a molecular weight of 256.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 62015365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).