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

C13H17N3O2 — CID 113234125

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-phenylpropan-1-ol
SMILESCc1nnc(CNC(C)(CO)c2ccccc2)o1
InChIInChI=1S/C13H17N3O2/c1-10-15-16-12(18-10)8-14-13(2,9-17)11-6-4-3-5-7-11/h3-7,14,17H,8-9H2,1-2H3
InChIKeyLFXNWOJBLSFNOE-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.38
Rot. Bonds5

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

2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-phenylpropan-1-ol (PubChem CID 113234125) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-phenylpropan-1-ol
PubChem CID113234125
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-phenylpropan-1-ol
SMILESCc1nnc(CNC(C)(CO)c2ccccc2)o1
InChIInChI=1S/C13H17N3O2/c1-10-15-16-12(18-10)8-14-13(2,9-17)11-6-4-3-5-7-11/h3-7,14,17H,8-9H2,1-2H3
InChIKeyLFXNWOJBLSFNOE-UHFFFAOYSA-N
XLogP1.38
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N1-((5-methyl-1,3,4-oxadiazol-2-yl)methyl)-N2-(1-phenylethyl)oxalamide
CID 45584613
2-(4-fluorophenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
CID 72023482
3-[Methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 72115490
[1-[(R)-phenyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylamino]methyl]cyclopentyl]methanol
CID 164629410
[1-[(R)-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-phenylmethyl]cyclobutyl]methanol
CID 164633423
N-[(S)-(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]acetamide
CID 139227801
N-[(S)-(5-ethyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]acetamide
CID 139227802
4-(4-fluorophenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]oxan-4-amine
CID 56783664
N-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-4-(4-fluorophenyl)oxan-4-amine
CID 56792228
2-methoxy-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 56792254
(1R)-2-methoxy-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 95629814
(1S)-2-methoxy-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 95629815

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-phenylpropan-1-ol?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-phenylpropan-1-ol (CID 113234125) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-phenylpropan-1-ol is Cc1nnc(CNC(C)(CO)c2ccccc2)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-phenylpropan-1-ol?
The InChIKey is LFXNWOJBLSFNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10-15-16-12(18-10)8-14-13(2,9-17)11-6-4-3-5-7-11/h3-7,14,17H,8-9H2,1-2H3.
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-phenylpropan-1-ol?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-phenylpropan-1-ol has a molecular weight of 247.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-phenylpropan-1-ol is sourced from PubChem (CID 113234125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).