3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine

C18H17F3N4O2 — CID 134148010

IUPAC3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1nc(C(F)(F)F)ccc1-c1nnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C18H17F3N4O2/c1-3-10-22-15-13(8-9-14(23-15)18(19,20)21)17-25-24-16(27-17)11-4-6-12(26-2)7-5-11/h4-9H,3,10H2,1-2H3,(H,22,23)
InChIKeyDKQWEWKBQPOGCP-UHFFFAOYSA-N
MW378.35 g/mol
LogP4.65
Rot. Bonds6

About 3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine

3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 134148010) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine
PubChem CID134148010
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1nc(C(F)(F)F)ccc1-c1nnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C18H17F3N4O2/c1-3-10-22-15-13(8-9-14(23-15)18(19,20)21)17-25-24-16(27-17)11-4-6-12(26-2)7-5-11/h4-9H,3,10H2,1-2H3,(H,22,23)
InChIKeyDKQWEWKBQPOGCP-UHFFFAOYSA-N
XLogP4.65
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-{[(4-Ethoxyphenyl)carbonyl]amino}ethyl)-1-pyridin-2-yl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884950
Diethyl-[3-[[5-[5-(4-isobutoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridyl]amino]propyl]amine
CID 2526579
3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine
CID 134139235
3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 134132706
3-[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine
CID 134133694
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134138229
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]benzamide
CID 134141890
4-methoxy-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-2-pyridinyl]benzamide
CID 134150104
1-Ethyl-3-[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]-7-methyl-1,8-naphthyridin-4-one
CID 171351365
N-[[(1S,4S,6S)-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridin-2-amine
CID 38030919
N-[2-(Cyclohex-1-EN-1-YL)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-YL]pyridin-2-amine
CID 53134007
N-[2-(Azepan-1-YL)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-YL]pyridin-2-amine
CID 53134016

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine (CID 134148010) is 3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine is CCCNc1nc(C(F)(F)F)ccc1-c1nnc(-c2ccc(OC)cc2)o1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is DKQWEWKBQPOGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c1-3-10-22-15-13(8-9-14(23-15)18(19,20)21)17-25-24-16(27-17)11-4-6-12(26-2)7-5-11/h4-9H,3,10H2,1-2H3,(H,22,23).
What are the key properties of 3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine?
3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 378.35 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 134148010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).