N-[2-[2-(3-hydroxyphenyl)phenyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pentanamide

C27H23F3N2O3 — CID 70180403

IUPACN-[2-[2-(3-hydroxyphenyl)phenyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pentanamide
SMILESCCCCC(=O)Nc1oc(-c2ccccc2-c2cccc(O)c2)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H23F3N2O3/c1-2-3-11-23(34)31-26-24(17-12-14-19(15-13-17)27(28,29)30)32-25(35-26)22-10-5-4-9-21(22)18-7-6-8-20(33)16-18/h4-10,12-16,33H,2-3,11H2,1H3,(H,31,34)
InChIKeyDIDRSZUMCCSVSY-UHFFFAOYSA-N
MW480.49 g/mol
LogP7.53
Rot. Bonds7

About N-[2-[2-(3-hydroxyphenyl)phenyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pentanamide

N-[2-[2-(3-hydroxyphenyl)phenyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pentanamide (PubChem CID 70180403) has the molecular formula C27H23F3N2O3 and a molecular weight of 480.49 g/mol. Its IUPAC name is N-[2-[2-(3-hydroxyphenyl)phenyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pentanamide.

Molecular Properties

Compound NameN-[2-[2-(3-hydroxyphenyl)phenyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pentanamide
PubChem CID70180403
Molecular FormulaC27H23F3N2O3
Molecular Weight480.49 g/mol
Exact Mass480.17
IUPAC NameN-[2-[2-(3-hydroxyphenyl)phenyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pentanamide
SMILESCCCCC(=O)Nc1oc(-c2ccccc2-c2cccc(O)c2)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H23F3N2O3/c1-2-3-11-23(34)31-26-24(17-12-14-19(15-13-17)27(28,29)30)32-25(35-26)22-10-5-4-9-21(22)18-7-6-8-20(33)16-18/h4-10,12-16,33H,2-3,11H2,1H3,(H,31,34)
InChIKeyDIDRSZUMCCSVSY-UHFFFAOYSA-N
XLogP7.53
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.49
LogP ≤ 57.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-hydroxyphenyl)phenyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pentanamide?
The IUPAC name of N-[2-[2-(3-hydroxyphenyl)phenyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pentanamide (CID 70180403) is N-[2-[2-(3-hydroxyphenyl)phenyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pentanamide.
What is the SMILES notation for N-[2-[2-(3-hydroxyphenyl)phenyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pentanamide?
The canonical SMILES for N-[2-[2-(3-hydroxyphenyl)phenyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pentanamide is CCCCC(=O)Nc1oc(-c2ccccc2-c2cccc(O)c2)nc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[2-(3-hydroxyphenyl)phenyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pentanamide?
The InChIKey is DIDRSZUMCCSVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N2O3/c1-2-3-11-23(34)31-26-24(17-12-14-19(15-13-17)27(28,29)30)32-25(35-26)22-10-5-4-9-21(22)18-7-6-8-20(33)16-18/h4-10,12-16,33H,2-3,11H2,1H3,(H,31,34).
What are the key properties of N-[2-[2-(3-hydroxyphenyl)phenyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pentanamide?
N-[2-[2-(3-hydroxyphenyl)phenyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pentanamide has a molecular weight of 480.49 g/mol, XLogP of 7.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-hydroxyphenyl)phenyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pentanamide is sourced from PubChem (CID 70180403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).