1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]-2-methylpropan-2-ol

C16H22N2O3 — CID 111336384

IUPAC1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]-2-methylpropan-2-ol
SMILESCOc1ccc(-c2nc(CN(C)CC(C)(C)O)co2)cc1
InChIInChI=1S/C16H22N2O3/c1-16(2,19)11-18(3)9-13-10-21-15(17-13)12-5-7-14(20-4)8-6-12/h5-8,10,19H,9,11H2,1-4H3
InChIKeyOOOPTOMSLJVJTK-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.55
Rot. Bonds6

About 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]-2-methylpropan-2-ol

1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]-2-methylpropan-2-ol (PubChem CID 111336384) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]-2-methylpropan-2-ol
PubChem CID111336384
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]-2-methylpropan-2-ol
SMILESCOc1ccc(-c2nc(CN(C)CC(C)(C)O)co2)cc1
InChIInChI=1S/C16H22N2O3/c1-16(2,19)11-18(3)9-13-10-21-15(17-13)12-5-7-14(20-4)8-6-12/h5-8,10,19H,9,11H2,1-4H3
InChIKeyOOOPTOMSLJVJTK-UHFFFAOYSA-N
XLogP2.55
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine
CID 56664992
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline
CID 56662391
1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 56668338
2-[[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 109398384
1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 128984497
N-ethyl-3-fluoro-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline
CID 55869520
4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline
CID 56672873
4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 55537742
2-[cyclopentyl-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]amino]acetamide
CID 56813192
N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide
CID 166392327
2-methyl-2-[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]propan-1-ol
CID 115640881
N'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 62687553

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]-2-methylpropan-2-ol (CID 111336384) is 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]-2-methylpropan-2-ol is COc1ccc(-c2nc(CN(C)CC(C)(C)O)co2)cc1.
What is the InChIKey of 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]-2-methylpropan-2-ol?
The InChIKey is OOOPTOMSLJVJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2,19)11-18(3)9-13-10-21-15(17-13)12-5-7-14(20-4)8-6-12/h5-8,10,19H,9,11H2,1-4H3.
What are the key properties of 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]-2-methylpropan-2-ol?
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]-2-methylpropan-2-ol has a molecular weight of 290.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 111336384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).