1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methylpropan-2-ol

C15H21N3O3 — CID 111336267

IUPAC1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methylpropan-2-ol
SMILESCOc1ccccc1-c1noc(CN(C)CC(C)(C)O)n1
InChIInChI=1S/C15H21N3O3/c1-15(2,19)10-18(3)9-13-16-14(17-21-13)11-7-5-6-8-12(11)20-4/h5-8,19H,9-10H2,1-4H3
InChIKeyLSVNSBKTJUHSHK-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.95
Rot. Bonds6

About 1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methylpropan-2-ol

1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methylpropan-2-ol (PubChem CID 111336267) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methylpropan-2-ol
PubChem CID111336267
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methylpropan-2-ol
SMILESCOc1ccccc1-c1noc(CN(C)CC(C)(C)O)n1
InChIInChI=1S/C15H21N3O3/c1-15(2,19)10-18(3)9-13-16-14(17-21-13)11-7-5-6-8-12(11)20-4/h5-8,19H,9-10H2,1-4H3
InChIKeyLSVNSBKTJUHSHK-UHFFFAOYSA-N
XLogP1.95
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 55201236
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CID 78816833
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 26511243
1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346174
N,N-diethyl-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2019912
1-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-N-methyl-2-N-phenylbenzene-1,2-diamine
CID 55897271
5-[(3,5-dimethoxyphenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9355953
1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79846588
1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 41294544
2-methoxy-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103157574
2-[5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 119929443
3-(2-methoxyphenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655382

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methylpropan-2-ol (CID 111336267) is 1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methylpropan-2-ol is COc1ccccc1-c1noc(CN(C)CC(C)(C)O)n1.
What is the InChIKey of 1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methylpropan-2-ol?
The InChIKey is LSVNSBKTJUHSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(2,19)10-18(3)9-13-16-14(17-21-13)11-7-5-6-8-12(11)20-4/h5-8,19H,9-10H2,1-4H3.
What are the key properties of 1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methylpropan-2-ol?
1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methylpropan-2-ol has a molecular weight of 291.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 111336267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).