N-(5,6-difluoro-1H-indol-3-yl)-5-[6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoro-3-pyridinyl]-1,2-oxazole-3-carboxamide

C24H19F5N4O2 — CID 162444435

IUPACN-(5,6-difluoro-1H-indol-3-yl)-5-[6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoro-3-pyridinyl]-1,2-oxazole-3-carboxamide
SMILESCC1(c2ncc(-c3cc(C(=O)Nc4c[nH]c5cc(F)c(F)cc45)no3)cc2F)CCC(F)(F)CC1
InChIInChI=1S/C24H19F5N4O2/c1-23(2-4-24(28,29)5-3-23)21-16(27)6-12(10-31-21)20-9-18(33-35-20)22(34)32-19-11-30-17-8-15(26)14(25)7-13(17)19/h6-11,30H,2-5H2,1H3,(H,32,34)
InChIKeyMCGOJTCEAPIJIP-UHFFFAOYSA-N
MW490.43 g/mol
LogP6.35
Rot. Bonds4

About N-(5,6-difluoro-1H-indol-3-yl)-5-[6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoro-3-pyridinyl]-1,2-oxazole-3-carboxamide

N-(5,6-difluoro-1H-indol-3-yl)-5-[6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoro-3-pyridinyl]-1,2-oxazole-3-carboxamide (PubChem CID 162444435) has the molecular formula C24H19F5N4O2 and a molecular weight of 490.43 g/mol. Its IUPAC name is N-(5,6-difluoro-1H-indol-3-yl)-5-[6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoro-3-pyridinyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1H-indol-3-yl)-5-[6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoro-3-pyridinyl]-1,2-oxazole-3-carboxamide
PubChem CID162444435
Molecular FormulaC24H19F5N4O2
Molecular Weight490.43 g/mol
Exact Mass490.14
IUPAC NameN-(5,6-difluoro-1H-indol-3-yl)-5-[6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoro-3-pyridinyl]-1,2-oxazole-3-carboxamide
SMILESCC1(c2ncc(-c3cc(C(=O)Nc4c[nH]c5cc(F)c(F)cc45)no3)cc2F)CCC(F)(F)CC1
InChIInChI=1S/C24H19F5N4O2/c1-23(2-4-24(28,29)5-3-23)21-16(27)6-12(10-31-21)20-9-18(33-35-20)22(34)32-19-11-30-17-8-15(26)14(25)7-13(17)19/h6-11,30H,2-5H2,1H3,(H,32,34)
InChIKeyMCGOJTCEAPIJIP-UHFFFAOYSA-N
XLogP6.35
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.43
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-5-[6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoro-3-pyridinyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-5-[6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoro-3-pyridinyl]-1,2-oxazole-3-carboxamide (CID 162444435) is N-(5,6-difluoro-1H-indol-3-yl)-5-[6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoro-3-pyridinyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5,6-difluoro-1H-indol-3-yl)-5-[6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoro-3-pyridinyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5,6-difluoro-1H-indol-3-yl)-5-[6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoro-3-pyridinyl]-1,2-oxazole-3-carboxamide is CC1(c2ncc(-c3cc(C(=O)Nc4c[nH]c5cc(F)c(F)cc45)no3)cc2F)CCC(F)(F)CC1.
What is the InChIKey of N-(5,6-difluoro-1H-indol-3-yl)-5-[6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoro-3-pyridinyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MCGOJTCEAPIJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F5N4O2/c1-23(2-4-24(28,29)5-3-23)21-16(27)6-12(10-31-21)20-9-18(33-35-20)22(34)32-19-11-30-17-8-15(26)14(25)7-13(17)19/h6-11,30H,2-5H2,1H3,(H,32,34).
What are the key properties of N-(5,6-difluoro-1H-indol-3-yl)-5-[6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoro-3-pyridinyl]-1,2-oxazole-3-carboxamide?
N-(5,6-difluoro-1H-indol-3-yl)-5-[6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoro-3-pyridinyl]-1,2-oxazole-3-carboxamide has a molecular weight of 490.43 g/mol, XLogP of 6.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1H-indol-3-yl)-5-[6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoro-3-pyridinyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 162444435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).