(2-chloro-3,4-dimethoxyphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine

C14H18ClN3O3 — CID 63632238

IUPAC(2-chloro-3,4-dimethoxyphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCCCc1nc(C(N)c2ccc(OC)c(OC)c2Cl)no1
InChIInChI=1S/C14H18ClN3O3/c1-4-5-10-17-14(18-21-10)12(16)8-6-7-9(19-2)13(20-3)11(8)15/h6-7,12H,4-5,16H2,1-3H3
InChIKeyRFHYTKYVUIHYRX-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.74
Rot. Bonds6

About (2-chloro-3,4-dimethoxyphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine

(2-chloro-3,4-dimethoxyphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 63632238) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is (2-chloro-3,4-dimethoxyphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-3,4-dimethoxyphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID63632238
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name(2-chloro-3,4-dimethoxyphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCCCc1nc(C(N)c2ccc(OC)c(OC)c2Cl)no1
InChIInChI=1S/C14H18ClN3O3/c1-4-5-10-17-14(18-21-10)12(16)8-6-7-9(19-2)13(20-3)11(8)15/h6-7,12H,4-5,16H2,1-3H3
InChIKeyRFHYTKYVUIHYRX-UHFFFAOYSA-N
XLogP2.74
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3,4-dimethoxyphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (2-chloro-3,4-dimethoxyphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine (CID 63632238) is (2-chloro-3,4-dimethoxyphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (2-chloro-3,4-dimethoxyphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (2-chloro-3,4-dimethoxyphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine is CCCc1nc(C(N)c2ccc(OC)c(OC)c2Cl)no1.
What is the InChIKey of (2-chloro-3,4-dimethoxyphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is RFHYTKYVUIHYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-4-5-10-17-14(18-21-10)12(16)8-6-7-9(19-2)13(20-3)11(8)15/h6-7,12H,4-5,16H2,1-3H3.
What are the key properties of (2-chloro-3,4-dimethoxyphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine?
(2-chloro-3,4-dimethoxyphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 311.77 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3,4-dimethoxyphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 63632238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).