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

C19H21FN4O — CID 97212801

IUPAC(1R)-1-(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@H](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/t18-/m1/s1
InChIKeyBJKLKCFRUJNEEQ-GOSISDBHSA-N
MW340.40 g/mol
LogP3.95
Rot. Bonds6

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

(1R)-1-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 97212801) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID97212801
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name(1R)-1-(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@H](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/t18-/m1/s1
InChIKeyBJKLKCFRUJNEEQ-GOSISDBHSA-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-fluorophenyl)-pyridin-3-ylmethyl]-methylamino]methyl]-6-methylpyridin-3-ol
CID 75439252
(1R)-1-(4-fluorophenyl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-phenylmethanamine
CID 30943877
(1R)-1-(4-fluorophenyl)-N-methyl-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine
CID 42088586
(2S)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazin-2-ylpropan-2-amine
CID 124754261
N-(1,3-benzoxazol-2-ylmethyl)-1-(4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 18144888
(1S)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 97079286
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine
CID 61413578
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
N,N-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylmethanamine
CID 154770051
(1S)-1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylmethanamine
CID 97076119
4-[dimethylamino(pyridin-3-yl)methyl]aniline
CID 116907051
(1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 51693922

Frequently Asked Questions

What is the IUPAC name of (1R)-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 (1R)-1-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyridin-3-ylmethanamine (CID 97212801) is (1R)-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 (1R)-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 (1R)-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@H](c2ccc(F)cc2)c2cccnc2)o1.
What is the InChIKey of (1R)-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-GOSISDBHSA-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/t18-/m1/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyridin-3-ylmethanamine?
(1R)-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 (1R)-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 97212801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).