3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-[3-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]benzamide

C26H23F4N3O2 — CID 42632647

IUPAC3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-[3-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)C)cc(C3=NOC(c4ncccc4C(F)(F)F)C3)c2)c(F)c1
InChIInChI=1S/C26H23F4N3O2/c1-14(2)32-25(34)18-11-16(19-7-6-15(3)9-21(19)27)10-17(12-18)22-13-23(35-33-22)24-20(26(28,29)30)5-4-8-31-24/h4-12,14,23H,13H2,1-3H3,(H,32,34)
InChIKeyCBCRTOZPAKNYEA-UHFFFAOYSA-N
MW485.48 g/mol
LogP6.22
Rot. Bonds5

About 3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-[3-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]benzamide

3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-[3-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]benzamide (PubChem CID 42632647) has the molecular formula C26H23F4N3O2 and a molecular weight of 485.48 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-[3-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]benzamide.

Molecular Properties

Compound Name3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-[3-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]benzamide
PubChem CID42632647
Molecular FormulaC26H23F4N3O2
Molecular Weight485.48 g/mol
Exact Mass485.17
IUPAC Name3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-[3-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)C)cc(C3=NOC(c4ncccc4C(F)(F)F)C3)c2)c(F)c1
InChIInChI=1S/C26H23F4N3O2/c1-14(2)32-25(34)18-11-16(19-7-6-15(3)9-21(19)27)10-17(12-18)22-13-23(35-33-22)24-20(26(28,29)30)5-4-8-31-24/h4-12,14,23H,13H2,1-3H3,(H,32,34)
InChIKeyCBCRTOZPAKNYEA-UHFFFAOYSA-N
XLogP6.22
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.48
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-[3-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]benzamide?
The IUPAC name of 3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-[3-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]benzamide (CID 42632647) is 3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-[3-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]benzamide.
What is the SMILES notation for 3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-[3-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]benzamide?
The canonical SMILES for 3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-[3-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]benzamide is Cc1ccc(-c2cc(C(=O)NC(C)C)cc(C3=NOC(c4ncccc4C(F)(F)F)C3)c2)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-[3-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]benzamide?
The InChIKey is CBCRTOZPAKNYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F4N3O2/c1-14(2)32-25(34)18-11-16(19-7-6-15(3)9-21(19)27)10-17(12-18)22-13-23(35-33-22)24-20(26(28,29)30)5-4-8-31-24/h4-12,14,23H,13H2,1-3H3,(H,32,34).
What are the key properties of 3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-[3-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]benzamide?
3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-[3-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]benzamide has a molecular weight of 485.48 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylphenyl)-N-propan-2-yl-5-[5-[3-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]benzamide is sourced from PubChem (CID 42632647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).