7-(4,4-difluoropiperidine-1-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9-methylsulfonylcarbazole-1-carboxamide

C25H24F2N4O5S — CID 118644626

IUPAC7-(4,4-difluoropiperidine-1-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9-methylsulfonylcarbazole-1-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(C(=O)N3CCC(F)(F)CC3)cc1n2S(C)(=O)=O
InChIInChI=1S/C25H24F2N4O5S/c1-13-21(14(2)36-29-13)16-10-18-17-5-4-15(24(33)30-8-6-25(26,27)7-9-30)12-20(17)31(37(3,34)35)22(18)19(11-16)23(28)32/h4-5,10-12H,6-9H2,1-3H3,(H2,28,32)
InChIKeyCBEZUJWFXIOVQN-UHFFFAOYSA-N
MW530.55 g/mol
LogP3.84
Rot. Bonds4

About 7-(4,4-difluoropiperidine-1-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9-methylsulfonylcarbazole-1-carboxamide

7-(4,4-difluoropiperidine-1-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9-methylsulfonylcarbazole-1-carboxamide (PubChem CID 118644626) has the molecular formula C25H24F2N4O5S and a molecular weight of 530.55 g/mol. Its IUPAC name is 7-(4,4-difluoropiperidine-1-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9-methylsulfonylcarbazole-1-carboxamide.

Molecular Properties

Compound Name7-(4,4-difluoropiperidine-1-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9-methylsulfonylcarbazole-1-carboxamide
PubChem CID118644626
Molecular FormulaC25H24F2N4O5S
Molecular Weight530.55 g/mol
Exact Mass530.14
IUPAC Name7-(4,4-difluoropiperidine-1-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9-methylsulfonylcarbazole-1-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(C(=O)N3CCC(F)(F)CC3)cc1n2S(C)(=O)=O
InChIInChI=1S/C25H24F2N4O5S/c1-13-21(14(2)36-29-13)16-10-18-17-5-4-15(24(33)30-8-6-25(26,27)7-9-30)12-20(17)31(37(3,34)35)22(18)19(11-16)23(28)32/h4-5,10-12H,6-9H2,1-3H3,(H2,28,32)
InChIKeyCBEZUJWFXIOVQN-UHFFFAOYSA-N
XLogP3.84
TPSA128.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.55
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4,4-difluoropiperidine-1-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9-methylsulfonylcarbazole-1-carboxamide?
The IUPAC name of 7-(4,4-difluoropiperidine-1-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9-methylsulfonylcarbazole-1-carboxamide (CID 118644626) is 7-(4,4-difluoropiperidine-1-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9-methylsulfonylcarbazole-1-carboxamide.
What is the SMILES notation for 7-(4,4-difluoropiperidine-1-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9-methylsulfonylcarbazole-1-carboxamide?
The canonical SMILES for 7-(4,4-difluoropiperidine-1-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9-methylsulfonylcarbazole-1-carboxamide is Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(C(=O)N3CCC(F)(F)CC3)cc1n2S(C)(=O)=O.
What is the InChIKey of 7-(4,4-difluoropiperidine-1-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9-methylsulfonylcarbazole-1-carboxamide?
The InChIKey is CBEZUJWFXIOVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O5S/c1-13-21(14(2)36-29-13)16-10-18-17-5-4-15(24(33)30-8-6-25(26,27)7-9-30)12-20(17)31(37(3,34)35)22(18)19(11-16)23(28)32/h4-5,10-12H,6-9H2,1-3H3,(H2,28,32).
What are the key properties of 7-(4,4-difluoropiperidine-1-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9-methylsulfonylcarbazole-1-carboxamide?
7-(4,4-difluoropiperidine-1-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9-methylsulfonylcarbazole-1-carboxamide has a molecular weight of 530.55 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,4-difluoropiperidine-1-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9-methylsulfonylcarbazole-1-carboxamide is sourced from PubChem (CID 118644626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).