2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-[4-(2-methylpropyl)phenyl]ethanol

C16H23N3O2 — CID 61014998

IUPAC2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCc1noc(CNCC(O)c2ccc(CC(C)C)cc2)n1
InChIInChI=1S/C16H23N3O2/c1-11(2)8-13-4-6-14(7-5-13)15(20)9-17-10-16-18-12(3)19-21-16/h4-7,11,15,17,20H,8-10H2,1-3H3
InChIKeyOPCKNGSMDHPGJJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.40
Rot. Bonds7

About 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-[4-(2-methylpropyl)phenyl]ethanol

2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-[4-(2-methylpropyl)phenyl]ethanol (PubChem CID 61014998) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-[4-(2-methylpropyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-[4-(2-methylpropyl)phenyl]ethanol
PubChem CID61014998
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCc1noc(CNCC(O)c2ccc(CC(C)C)cc2)n1
InChIInChI=1S/C16H23N3O2/c1-11(2)8-13-4-6-14(7-5-13)15(20)9-17-10-16-18-12(3)19-21-16/h4-7,11,15,17,20H,8-10H2,1-3H3
InChIKeyOPCKNGSMDHPGJJ-UHFFFAOYSA-N
XLogP2.40
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol
CID 106417399
1-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]propan-2-ol
CID 60909721
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butan-2-ol
CID 61014735
1-[4-(2-methylpropyl)phenyl]-2-(prop-2-ynylamino)ethanol
CID 60903530
1-(4-ethylphenyl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 86919174
1-[4-(2-methylpropyl)phenyl]-2-(2,3,3-trimethylbutylamino)ethanol
CID 83142065
1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 60903668
5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]pentan-2-ol
CID 106130457
1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol
CID 60896684
4-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-methylbutan-1-ol
CID 66091850
2-(3-methylbut-2-enylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 106188249
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60904141

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-[4-(2-methylpropyl)phenyl]ethanol?
The IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-[4-(2-methylpropyl)phenyl]ethanol (CID 61014998) is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-[4-(2-methylpropyl)phenyl]ethanol.
What is the SMILES notation for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-[4-(2-methylpropyl)phenyl]ethanol?
The canonical SMILES for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-[4-(2-methylpropyl)phenyl]ethanol is Cc1noc(CNCC(O)c2ccc(CC(C)C)cc2)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-[4-(2-methylpropyl)phenyl]ethanol?
The InChIKey is OPCKNGSMDHPGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)8-13-4-6-14(7-5-13)15(20)9-17-10-16-18-12(3)19-21-16/h4-7,11,15,17,20H,8-10H2,1-3H3.
What are the key properties of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-[4-(2-methylpropyl)phenyl]ethanol?
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-[4-(2-methylpropyl)phenyl]ethanol has a molecular weight of 289.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-[4-(2-methylpropyl)phenyl]ethanol is sourced from PubChem (CID 61014998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).