N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

C19H16F2N4O2 — CID 166233213

IUPACN-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESO=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1ccc2c(c1)CNCC2
InChIInChI=1S/C19H16F2N4O2/c20-16(21)19-24-17(25-27-19)12-3-5-15(6-4-12)23-18(26)13-2-1-11-7-8-22-10-14(11)9-13/h1-6,9,16,22H,7-8,10H2,(H,23,26)
InChIKeyVKCIZMRFVMMWJV-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.57
Rot. Bonds4

About N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (PubChem CID 166233213) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
PubChem CID166233213
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC NameN-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESO=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1ccc2c(c1)CNCC2
InChIInChI=1S/C19H16F2N4O2/c20-16(21)19-24-17(25-27-19)12-3-5-15(6-4-12)23-18(26)13-2-1-11-7-8-22-10-14(11)9-13/h1-6,9,16,22H,7-8,10H2,(H,23,26)
InChIKeyVKCIZMRFVMMWJV-UHFFFAOYSA-N
XLogP3.57
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide with MolForge

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Related Compounds

[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamic acid
CID 146291046
N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1H-indole-2-carboxamide
CID 167868127
3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901337
4-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 44536182
N-[4-[5-(7-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methylpropanamide
CID 167816731
N-[4-[5-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methylpropanamide
CID 167770536
[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 175729597
4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid
CID 115866991
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 114387472
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119581155
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
5-bromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride
CID 75469390

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The IUPAC name of N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (CID 166233213) is N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.
What is the SMILES notation for N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The canonical SMILES for N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1ccc2c(c1)CNCC2.
What is the InChIKey of N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The InChIKey is VKCIZMRFVMMWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c20-16(21)19-24-17(25-27-19)12-3-5-15(6-4-12)23-18(26)13-2-1-11-7-8-22-10-14(11)9-13/h1-6,9,16,22H,7-8,10H2,(H,23,26).
What are the key properties of N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is sourced from PubChem (CID 166233213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).