1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine

C14H19ClN4O2 — CID 103445464

IUPAC1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine
SMILESCCCNC(COC)Cc1nc(-c2ncccc2Cl)no1
InChIInChI=1S/C14H19ClN4O2/c1-3-6-16-10(9-20-2)8-12-18-14(19-21-12)13-11(15)5-4-7-17-13/h4-5,7,10,16H,3,6,8-9H2,1-2H3
InChIKeyMXZPSNBBEFDTPL-UHFFFAOYSA-N
MW310.79 g/mol
LogP2.34
Rot. Bonds8

About 1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine

1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine (PubChem CID 103445464) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine
PubChem CID103445464
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine
SMILESCCCNC(COC)Cc1nc(-c2ncccc2Cl)no1
InChIInChI=1S/C14H19ClN4O2/c1-3-6-16-10(9-20-2)8-12-18-14(19-21-12)13-11(15)5-4-7-17-13/h4-5,7,10,16H,3,6,8-9H2,1-2H3
InChIKeyMXZPSNBBEFDTPL-UHFFFAOYSA-N
XLogP2.34
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine?
The IUPAC name of 1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine (CID 103445464) is 1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine?
The canonical SMILES for 1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine is CCCNC(COC)Cc1nc(-c2ncccc2Cl)no1.
What is the InChIKey of 1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine?
The InChIKey is MXZPSNBBEFDTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-3-6-16-10(9-20-2)8-12-18-14(19-21-12)13-11(15)5-4-7-17-13/h4-5,7,10,16H,3,6,8-9H2,1-2H3.
What are the key properties of 1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine?
1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine has a molecular weight of 310.79 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine is sourced from PubChem (CID 103445464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).