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

C16H23N3O2 — CID 111448307

IUPAC1-[ethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylpropan-2-ol
SMILESCCN(CCc1nc(-c2ccccc2)no1)CC(C)(C)O
InChIInChI=1S/C16H23N3O2/c1-4-19(12-16(2,3)20)11-10-14-17-15(18-21-14)13-8-6-5-7-9-13/h5-9,20H,4,10-12H2,1-3H3
InChIKeyKEAYMGWESFWWRK-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.37
Rot. Bonds7

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

1-[ethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylpropan-2-ol (PubChem CID 111448307) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[ethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylpropan-2-ol
PubChem CID111448307
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[ethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylpropan-2-ol
SMILESCCN(CCc1nc(-c2ccccc2)no1)CC(C)(C)O
InChIInChI=1S/C16H23N3O2/c1-4-19(12-16(2,3)20)11-10-14-17-15(18-21-14)13-8-6-5-7-9-13/h5-9,20H,4,10-12H2,1-3H3
InChIKeyKEAYMGWESFWWRK-UHFFFAOYSA-N
XLogP2.37
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropan-2-ol
CID 78963940
N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;phosphoric acid
CID 6431771
3-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 61010785
2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 62047775
5-pentyl-3-phenyl-1,2,4-oxadiazole
CID 19658049
2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 174569483
1,1-dimethyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 110293678
3-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-N-propylbenzamide
CID 83281960
2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 7017713
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111596432
N-ethyl-3-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 8836343
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylpropan-2-ol (CID 111448307) is 1-[ethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylpropan-2-ol is CCN(CCc1nc(-c2ccccc2)no1)CC(C)(C)O.
What is the InChIKey of 1-[ethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylpropan-2-ol?
The InChIKey is KEAYMGWESFWWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-19(12-16(2,3)20)11-10-14-17-15(18-21-14)13-8-6-5-7-9-13/h5-9,20H,4,10-12H2,1-3H3.
What are the key properties of 1-[ethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylpropan-2-ol has a molecular weight of 289.38 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 111448307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).