(4-chloro-3-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine

C12H11ClFN3O — CID 54980431

IUPAC(4-chloro-3-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESNC(c1ccc(Cl)c(F)c1)c1noc(C2CC2)n1
InChIInChI=1S/C12H11ClFN3O/c13-8-4-3-7(5-9(8)14)10(15)11-16-12(18-17-11)6-1-2-6/h3-6,10H,1-2,15H2
InChIKeyRYPMUVLEQPETQW-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.79
Rot. Bonds3

About (4-chloro-3-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine

(4-chloro-3-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 54980431) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID54980431
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name(4-chloro-3-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESNC(c1ccc(Cl)c(F)c1)c1noc(C2CC2)n1
InChIInChI=1S/C12H11ClFN3O/c13-8-4-3-7(5-9(8)14)10(15)11-16-12(18-17-11)6-1-2-6/h3-6,10H,1-2,15H2
InChIKeyRYPMUVLEQPETQW-UHFFFAOYSA-N
XLogP2.79
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(3,4-dichlorophenyl)methanamine
CID 43559726
(3-bromo-4-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559740
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 43559769
5-[1-[1-(4-chloro-3-fluorophenyl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 75510924
(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
CID 107991698
(4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine
CID 107995408
(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088
3-(4-chloro-3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 95733033
(4-bromothiophen-2-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
CID 61346630
(S)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(2-methoxyphenyl)methanamine
CID 93243858
(S)-(4-chloro-3-fluorophenyl)-(oxan-4-yl)methanamine
CID 131292483
(4-bromo-3-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 81437623

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (4-chloro-3-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine (CID 54980431) is (4-chloro-3-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine is NC(c1ccc(Cl)c(F)c1)c1noc(C2CC2)n1.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is RYPMUVLEQPETQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c13-8-4-3-7(5-9(8)14)10(15)11-16-12(18-17-11)6-1-2-6/h3-6,10H,1-2,15H2.
What are the key properties of (4-chloro-3-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine?
(4-chloro-3-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 267.69 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 54980431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).