N-[(3-chlorophenyl)methyl]-3-cyclopropyl-1,2,4-oxadiazol-5-amine

C12H12ClN3O — CID 75421620

IUPACN-[(3-chlorophenyl)methyl]-3-cyclopropyl-1,2,4-oxadiazol-5-amine
SMILESClc1cccc(CNc2nc(C3CC3)no2)c1
InChIInChI=1S/C12H12ClN3O/c13-10-3-1-2-8(6-10)7-14-12-15-11(16-17-12)9-4-5-9/h1-3,6,9H,4-5,7H2,(H,14,15,16)
InChIKeyMUUGQZAIOCLTJK-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.21
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-3-cyclopropyl-1,2,4-oxadiazol-5-amine

N-[(3-chlorophenyl)methyl]-3-cyclopropyl-1,2,4-oxadiazol-5-amine (PubChem CID 75421620) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-cyclopropyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-cyclopropyl-1,2,4-oxadiazol-5-amine
PubChem CID75421620
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC NameN-[(3-chlorophenyl)methyl]-3-cyclopropyl-1,2,4-oxadiazol-5-amine
SMILESClc1cccc(CNc2nc(C3CC3)no2)c1
InChIInChI=1S/C12H12ClN3O/c13-10-3-1-2-8(6-10)7-14-12-15-11(16-17-12)9-4-5-9/h1-3,6,9H,4-5,7H2,(H,14,15,16)
InChIKeyMUUGQZAIOCLTJK-UHFFFAOYSA-N
XLogP3.21
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-cyclopropyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-cyclopropyl-1,2,4-oxadiazol-5-amine (CID 75421620) is N-[(3-chlorophenyl)methyl]-3-cyclopropyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-cyclopropyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-cyclopropyl-1,2,4-oxadiazol-5-amine is Clc1cccc(CNc2nc(C3CC3)no2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-cyclopropyl-1,2,4-oxadiazol-5-amine?
The InChIKey is MUUGQZAIOCLTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-10-3-1-2-8(6-10)7-14-12-15-11(16-17-12)9-4-5-9/h1-3,6,9H,4-5,7H2,(H,14,15,16).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-cyclopropyl-1,2,4-oxadiazol-5-amine?
N-[(3-chlorophenyl)methyl]-3-cyclopropyl-1,2,4-oxadiazol-5-amine has a molecular weight of 249.70 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-cyclopropyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 75421620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).