N-[5-[4-[(2-fluorophenyl)carbamoyl]phenyl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C29H25F4N5O3 — CID 46212523

IUPACN-[5-[4-[(2-fluorophenyl)carbamoyl]phenyl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(-c4ccc(C(=O)Nc5ccccc5F)cc4)cn3)o2)C1
InChIInChI=1S/C29H25F4N5O3/c1-17-5-4-14-38(16-17)28-37-25(29(31,32)33)24(41-28)27(40)36-23-13-12-20(15-34-23)18-8-10-19(11-9-18)26(39)35-22-7-3-2-6-21(22)30/h2-3,6-13,15,17H,4-5,14,16H2,1H3,(H,35,39)(H,34,36,40)
InChIKeyILJFILXGINEJFE-UHFFFAOYSA-N
MW567.54 g/mol
LogP6.64
Rot. Bonds6

About N-[5-[4-[(2-fluorophenyl)carbamoyl]phenyl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[5-[4-[(2-fluorophenyl)carbamoyl]phenyl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46212523) has the molecular formula C29H25F4N5O3 and a molecular weight of 567.54 g/mol. Its IUPAC name is N-[5-[4-[(2-fluorophenyl)carbamoyl]phenyl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[4-[(2-fluorophenyl)carbamoyl]phenyl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID46212523
Molecular FormulaC29H25F4N5O3
Molecular Weight567.54 g/mol
Exact Mass567.19
IUPAC NameN-[5-[4-[(2-fluorophenyl)carbamoyl]phenyl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(-c4ccc(C(=O)Nc5ccccc5F)cc4)cn3)o2)C1
InChIInChI=1S/C29H25F4N5O3/c1-17-5-4-14-38(16-17)28-37-25(29(31,32)33)24(41-28)27(40)36-23-13-12-20(15-34-23)18-8-10-19(11-9-18)26(39)35-22-7-3-2-6-21(22)30/h2-3,6-13,15,17H,4-5,14,16H2,1H3,(H,35,39)(H,34,36,40)
InChIKeyILJFILXGINEJFE-UHFFFAOYSA-N
XLogP6.64
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.54
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(2-fluorophenyl)carbamoyl]phenyl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[5-[4-[(2-fluorophenyl)carbamoyl]phenyl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46212523) is N-[5-[4-[(2-fluorophenyl)carbamoyl]phenyl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[5-[4-[(2-fluorophenyl)carbamoyl]phenyl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[5-[4-[(2-fluorophenyl)carbamoyl]phenyl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(-c4ccc(C(=O)Nc5ccccc5F)cc4)cn3)o2)C1.
What is the InChIKey of N-[5-[4-[(2-fluorophenyl)carbamoyl]phenyl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is ILJFILXGINEJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F4N5O3/c1-17-5-4-14-38(16-17)28-37-25(29(31,32)33)24(41-28)27(40)36-23-13-12-20(15-34-23)18-8-10-19(11-9-18)26(39)35-22-7-3-2-6-21(22)30/h2-3,6-13,15,17H,4-5,14,16H2,1H3,(H,35,39)(H,34,36,40).
What are the key properties of N-[5-[4-[(2-fluorophenyl)carbamoyl]phenyl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[5-[4-[(2-fluorophenyl)carbamoyl]phenyl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 567.54 g/mol, XLogP of 6.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(2-fluorophenyl)carbamoyl]phenyl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46212523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).