3-cyclopropyl-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-amine

C17H19N5O — CID 97074779

IUPAC3-cyclopropyl-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-amine
SMILESCc1nccn1-c1ccc([C@@H](C)Nc2nc(C3CC3)no2)cc1
InChIInChI=1S/C17H19N5O/c1-11(19-17-20-16(21-23-17)14-3-4-14)13-5-7-15(8-6-13)22-10-9-18-12(22)2/h5-11,14H,3-4H2,1-2H3,(H,19,20,21)/t11-/m1/s1
InChIKeyGOIHQCKSGKAITE-LLVKDONJSA-N
MW309.37 g/mol
LogP3.61
Rot. Bonds5

About 3-cyclopropyl-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-amine

3-cyclopropyl-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-amine (PubChem CID 97074779) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-amine
PubChem CID97074779
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-cyclopropyl-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-amine
SMILESCc1nccn1-c1ccc([C@@H](C)Nc2nc(C3CC3)no2)cc1
InChIInChI=1S/C17H19N5O/c1-11(19-17-20-16(21-23-17)14-3-4-14)13-5-7-15(8-6-13)22-10-9-18-12(22)2/h5-11,14H,3-4H2,1-2H3,(H,19,20,21)/t11-/m1/s1
InChIKeyGOIHQCKSGKAITE-LLVKDONJSA-N
XLogP3.61
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-amine (CID 97074779) is 3-cyclopropyl-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-amine is Cc1nccn1-c1ccc([C@@H](C)Nc2nc(C3CC3)no2)cc1.
What is the InChIKey of 3-cyclopropyl-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is GOIHQCKSGKAITE-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11(19-17-20-16(21-23-17)14-3-4-14)13-5-7-15(8-6-13)22-10-9-18-12(22)2/h5-11,14H,3-4H2,1-2H3,(H,19,20,21)/t11-/m1/s1.
What are the key properties of 3-cyclopropyl-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-amine?
3-cyclopropyl-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 309.37 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 97074779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).