N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide

C18H12F3N5O3 — CID 162663991

IUPACN-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide
SMILESCc1noc(-c2cnn(-c3ccc(NC(=O)c4ccco4)cc3)c2C(F)(F)F)n1
InChIInChI=1S/C18H12F3N5O3/c1-10-23-17(29-25-10)13-9-22-26(15(13)18(19,20)21)12-6-4-11(5-7-12)24-16(27)14-3-2-8-28-14/h2-9H,1H3,(H,24,27)
InChIKeyRRERRQFBXVVXLL-UHFFFAOYSA-N
MW403.32 g/mol
LogP4.09
Rot. Bonds4

About N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide

N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide (PubChem CID 162663991) has the molecular formula C18H12F3N5O3 and a molecular weight of 403.32 g/mol. Its IUPAC name is N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide
PubChem CID162663991
Molecular FormulaC18H12F3N5O3
Molecular Weight403.32 g/mol
Exact Mass403.09
IUPAC NameN-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide
SMILESCc1noc(-c2cnn(-c3ccc(NC(=O)c4ccco4)cc3)c2C(F)(F)F)n1
InChIInChI=1S/C18H12F3N5O3/c1-10-23-17(29-25-10)13-9-22-26(15(13)18(19,20)21)12-6-4-11(5-7-12)24-16(27)14-3-2-8-28-14/h2-9H,1H3,(H,24,27)
InChIKeyRRERRQFBXVVXLL-UHFFFAOYSA-N
XLogP4.09
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-(4-nitrophenyl)acetamide
CID 162656195
1-(4-chlorophenyl)-N-[4-(furan-2-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46536598
N-(3-methyl-1,2,4-oxadiazol-5-yl)furan-2-carboxamide
CID 103618054
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide
CID 46421870
N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide
CID 1029171
1-(4-bromophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide
CID 55544244
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
1-(4-fluorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55595553
N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide
CID 5306879
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide
CID 166215878

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide (CID 162663991) is N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide is Cc1noc(-c2cnn(-c3ccc(NC(=O)c4ccco4)cc3)c2C(F)(F)F)n1.
What is the InChIKey of N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide?
The InChIKey is RRERRQFBXVVXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O3/c1-10-23-17(29-25-10)13-9-22-26(15(13)18(19,20)21)12-6-4-11(5-7-12)24-16(27)14-3-2-8-28-14/h2-9H,1H3,(H,24,27).
What are the key properties of N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide?
N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide has a molecular weight of 403.32 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 162663991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).