2-(2,6-difluorophenyl)-5-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1,3-oxazole-4-carboxamide

C23H23F2N5O3 — CID 59587638

IUPAC2-(2,6-difluorophenyl)-5-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1,3-oxazole-4-carboxamide
SMILESCN1CCC(NC(=O)c2ccc(Nc3oc(-c4c(F)cccc4F)nc3C(N)=O)cc2)CC1
InChIInChI=1S/C23H23F2N5O3/c1-30-11-9-15(10-12-30)27-21(32)13-5-7-14(8-6-13)28-23-19(20(26)31)29-22(33-23)18-16(24)3-2-4-17(18)25/h2-8,15,28H,9-12H2,1H3,(H2,26,31)(H,27,32)
InChIKeyJYMJYTMQPAMVJF-UHFFFAOYSA-N
MW455.47 g/mol
LogP3.29
Rot. Bonds6

About 2-(2,6-difluorophenyl)-5-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1,3-oxazole-4-carboxamide

2-(2,6-difluorophenyl)-5-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1,3-oxazole-4-carboxamide (PubChem CID 59587638) has the molecular formula C23H23F2N5O3 and a molecular weight of 455.47 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1,3-oxazole-4-carboxamide
PubChem CID59587638
Molecular FormulaC23H23F2N5O3
Molecular Weight455.47 g/mol
Exact Mass455.18
IUPAC Name2-(2,6-difluorophenyl)-5-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1,3-oxazole-4-carboxamide
SMILESCN1CCC(NC(=O)c2ccc(Nc3oc(-c4c(F)cccc4F)nc3C(N)=O)cc2)CC1
InChIInChI=1S/C23H23F2N5O3/c1-30-11-9-15(10-12-30)27-21(32)13-5-7-14(8-6-13)28-23-19(20(26)31)29-22(33-23)18-16(24)3-2-4-17(18)25/h2-8,15,28H,9-12H2,1H3,(H2,26,31)(H,27,32)
InChIKeyJYMJYTMQPAMVJF-UHFFFAOYSA-N
XLogP3.29
TPSA113.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-5-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1,3-oxazole-4-carboxamide (CID 59587638) is 2-(2,6-difluorophenyl)-5-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1,3-oxazole-4-carboxamide is CN1CCC(NC(=O)c2ccc(Nc3oc(-c4c(F)cccc4F)nc3C(N)=O)cc2)CC1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1,3-oxazole-4-carboxamide?
The InChIKey is JYMJYTMQPAMVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O3/c1-30-11-9-15(10-12-30)27-21(32)13-5-7-14(8-6-13)28-23-19(20(26)31)29-22(33-23)18-16(24)3-2-4-17(18)25/h2-8,15,28H,9-12H2,1H3,(H2,26,31)(H,27,32).
What are the key properties of 2-(2,6-difluorophenyl)-5-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1,3-oxazole-4-carboxamide?
2-(2,6-difluorophenyl)-5-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1,3-oxazole-4-carboxamide has a molecular weight of 455.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 59587638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).