1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-amine

C11H13N3O — CID 84671547

IUPAC1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-amine
SMILESCC(N)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C11H13N3O/c1-8(12)7-10-13-14-11(15-10)9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3
InChIKeyRPGCNFKQKQVTCM-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.63
Rot. Bonds3

About 1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-amine

1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-amine (PubChem CID 84671547) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-amine
PubChem CID84671547
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-amine
SMILESCC(N)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C11H13N3O/c1-8(12)7-10-13-14-11(15-10)9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3
InChIKeyRPGCNFKQKQVTCM-UHFFFAOYSA-N
XLogP1.63
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]propan-2-amine
CID 84700432
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
ethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 178170665
1-(5-phenyl-1,3,4-oxadiazol-2-yl)propane-1,2-diamine
CID 67031947
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138740
1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 110653660
2-[di(propan-2-yloxy)phosphorylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 176515717
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropanoic acid
CID 82135343
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-phenylsulfanylpropanoate
CID 78546049

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-amine?
The IUPAC name of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-amine (CID 84671547) is 1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-amine is CC(N)Cc1nnc(-c2ccccc2)o1.
What is the InChIKey of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-amine?
The InChIKey is RPGCNFKQKQVTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8(12)7-10-13-14-11(15-10)9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3.
What are the key properties of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-amine?
1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-amine has a molecular weight of 203.25 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-amine is sourced from PubChem (CID 84671547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).