(1S)-1-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine

C11H13N3O — CID 42046774

IUPAC(1S)-1-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCc1ccccc1-c1nnc([C@H](C)N)o1
InChIInChI=1S/C11H13N3O/c1-7-5-3-4-6-9(7)11-14-13-10(15-11)8(2)12/h3-6,8H,12H2,1-2H3/t8-/m0/s1
InChIKeySPXSCCMLXDRMEW-QMMMGPOBSA-N
MW203.25 g/mol
LogP2.06
Rot. Bonds2

About (1S)-1-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine

(1S)-1-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 42046774) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is (1S)-1-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID42046774
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name(1S)-1-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCc1ccccc1-c1nnc([C@H](C)N)o1
InChIInChI=1S/C11H13N3O/c1-7-5-3-4-6-9(7)11-14-13-10(15-11)8(2)12/h3-6,8H,12H2,1-2H3/t8-/m0/s1
InChIKeySPXSCCMLXDRMEW-QMMMGPOBSA-N
XLogP2.06
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62070255
1-[5-(2-methyl-5-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 55035147
1-[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106855921
1-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62070438
2-(2-methylphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7715724
2-(2-methylphenyl)-5-methylsulfanyl-1,3,4-oxadiazole
CID 19060529
2-(2-methylphenyl)-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 110656446
2-(2-methylphenyl)-5-(2,3,4,5,6-pentafluorophenyl)-1,3,4-oxadiazole
CID 102525584
N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 55044443
1-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 3793514
(1R)-1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 42046788
2-(2-methylphenyl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 15957151

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of (1S)-1-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 42046774) is (1S)-1-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for (1S)-1-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine is Cc1ccccc1-c1nnc([C@H](C)N)o1.
What is the InChIKey of (1S)-1-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is SPXSCCMLXDRMEW-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-5-3-4-6-9(7)11-14-13-10(15-11)8(2)12/h3-6,8H,12H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
(1S)-1-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 203.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 42046774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).