1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine

C18H16FN5O2 — CID 50975857

IUPAC1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
SMILESCN(Cc1nc(-c2ccco2)no1)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C18H16FN5O2/c1-24(11-16-21-18(23-26-16)15-3-2-8-25-15)10-13-9-20-22-17(13)12-4-6-14(19)7-5-12/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyVGOCPWVDAVMSKC-UHFFFAOYSA-N
MW353.36 g/mol
LogP3.49
Rot. Bonds6

About 1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine

1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine (PubChem CID 50975857) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
PubChem CID50975857
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
SMILESCN(Cc1nc(-c2ccco2)no1)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C18H16FN5O2/c1-24(11-16-21-18(23-26-16)15-3-2-8-25-15)10-13-9-20-22-17(13)12-4-6-14(19)7-5-12/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyVGOCPWVDAVMSKC-UHFFFAOYSA-N
XLogP3.49
TPSA83.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 134019576
1-(1,3-diphenylpyrazol-4-yl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 37254069
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine
CID 171906462
1-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 56860414
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(oxan-2-yl)furan-2-yl]methanamine
CID 131948636
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine
CID 46993702
1-(2-chloro-5-nitrophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 17437571
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 46984703
1-(5-chlorothiophen-2-yl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 26509756
N-ethyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine
CID 66184076
2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]pyridine-3-carboxylic acid
CID 50963732
[3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2,4,6-trimethylphenyl]methanol
CID 46997901

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine (CID 50975857) is 1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine is CN(Cc1nc(-c2ccco2)no1)Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The InChIKey is VGOCPWVDAVMSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-24(11-16-21-18(23-26-16)15-3-2-8-25-15)10-13-9-20-22-17(13)12-4-6-14(19)7-5-12/h2-9H,10-11H2,1H3,(H,20,22).
What are the key properties of 1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine has a molecular weight of 353.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 50975857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).