1-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyridin-3-ylmethanamine

C19H21FN4O — CID 75371034

IUPAC1-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCC(C)c1nnc(CN(C)C(c2ccc(F)cc2)c2cccnc2)o1
InChIInChI=1S/C19H21FN4O/c1-13(2)19-23-22-17(25-19)12-24(3)18(15-5-4-10-21-11-15)14-6-8-16(20)9-7-14/h4-11,13,18H,12H2,1-3H3
InChIKeyBJKLKCFRUJNEEQ-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.95
Rot. Bonds6

About 1-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyridin-3-ylmethanamine

1-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 75371034) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID75371034
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name1-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCC(C)c1nnc(CN(C)C(c2ccc(F)cc2)c2cccnc2)o1
InChIInChI=1S/C19H21FN4O/c1-13(2)19-23-22-17(25-19)12-24(3)18(15-5-4-10-21-11-15)14-6-8-16(20)9-7-14/h4-11,13,18H,12H2,1-3H3
InChIKeyBJKLKCFRUJNEEQ-UHFFFAOYSA-N
XLogP3.95
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Ethylpiperazin-1-YL)-1-[3-(4-fluorophenyl)-5-(1-methyl-1H-pyrrol-2-YL)-4,5-dihydro-1H-pyrazol-1-YL]ethan-1-one
CID 46030185
1-[3-(4-Fluorophenyl)-5-(1-methyl-1H-pyrrol-2-YL)-4,5-dihydro-1H-pyrazol-1-YL]-2-(piperidin-1-YL)ethan-1-one
CID 46030186
1-[5-(4-Fluorophenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperidin-1-yl)ethanone
CID 46030190
1-[5-(4-Fluorophenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 46030192
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 71861469
2-propan-2-yl-5-[(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-oxadiazole
CID 71988705
N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72920739
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 84585289
1-[3-(4-Fluorophenyl)-5-(1-methyl-1H-pyrrol-2-YL)-4,5-dihydro-1H-pyrazol-1-YL]-2-[4-(2-fluorophenyl)piperazin-1-YL]ethan-1-one
CID 46030187
Ethyl 4-[2-[5-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazine-1-carboxylate
CID 46030429
1-[5-(4-Fluorophenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
CID 46153976
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyridin-3-ylpropanamide
CID 77089701

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyridin-3-ylmethanamine (CID 75371034) is 1-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyridin-3-ylmethanamine is CC(C)c1nnc(CN(C)C(c2ccc(F)cc2)c2cccnc2)o1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is BJKLKCFRUJNEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-13(2)19-23-22-17(25-19)12-24(3)18(15-5-4-10-21-11-15)14-6-8-16(20)9-7-14/h4-11,13,18H,12H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyridin-3-ylmethanamine?
1-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 340.40 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 75371034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).