1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol

C13H25N3O2 — CID 78962718

IUPAC1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol
SMILESCCN(Cc1nc(CC(C)C)no1)CC(C)(C)O
InChIInChI=1S/C13H25N3O2/c1-6-16(9-13(4,5)17)8-12-14-11(15-18-12)7-10(2)3/h10,17H,6-9H2,1-5H3
InChIKeyGXTAYVUATQZTNP-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.86
Rot. Bonds7

About 1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol

1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol (PubChem CID 78962718) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol
PubChem CID78962718
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol
SMILESCCN(Cc1nc(CC(C)C)no1)CC(C)(C)O
InChIInChI=1S/C13H25N3O2/c1-6-16(9-13(4,5)17)8-12-14-11(15-18-12)7-10(2)3/h10,17H,6-9H2,1-5H3
InChIKeyGXTAYVUATQZTNP-UHFFFAOYSA-N
XLogP1.86
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoic acid
CID 62852599
2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]acetic acid
CID 54899106
1-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropan-2-ol
CID 78963940
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 134018549
N-(1H-indol-5-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 119044837
2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-ynylamino]acetic acid
CID 79283219
2-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropanoic acid
CID 62820805
N'-ethyl-2,2-dimethyl-N'-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine
CID 79661328
1-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol
CID 79389456
1,1,1-trifluoro-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346367
3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propane-1,2-diol
CID 79682009
N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 60724943

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol (CID 78962718) is 1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol is CCN(Cc1nc(CC(C)C)no1)CC(C)(C)O.
What is the InChIKey of 1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol?
The InChIKey is GXTAYVUATQZTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-6-16(9-13(4,5)17)8-12-14-11(15-18-12)7-10(2)3/h10,17H,6-9H2,1-5H3.
What are the key properties of 1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol has a molecular weight of 255.36 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 78962718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).