N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-8-yl]-2-pyridinyl]pentanamide

C27H21F3N4O3 — CID 155249540

IUPACN-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-8-yl]-2-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(-c2ccc3ncc4oc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1
InChIInChI=1S/C27H21F3N4O3/c1-2-3-7-24(35)33-23-11-9-17(14-32-23)16-8-10-21-20(12-16)25-22(15-31-21)37-26(36)34(25)19-6-4-5-18(13-19)27(28,29)30/h4-6,8-15H,2-3,7H2,1H3,(H,32,33,35)
InChIKeyZPINKSUPPJONQE-UHFFFAOYSA-N
MW506.48 g/mol
LogP6.34
Rot. Bonds6

About N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-8-yl]-2-pyridinyl]pentanamide

N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-8-yl]-2-pyridinyl]pentanamide (PubChem CID 155249540) has the molecular formula C27H21F3N4O3 and a molecular weight of 506.48 g/mol. Its IUPAC name is N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-8-yl]-2-pyridinyl]pentanamide.

Molecular Properties

Compound NameN-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-8-yl]-2-pyridinyl]pentanamide
PubChem CID155249540
Molecular FormulaC27H21F3N4O3
Molecular Weight506.48 g/mol
Exact Mass506.16
IUPAC NameN-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-8-yl]-2-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(-c2ccc3ncc4oc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1
InChIInChI=1S/C27H21F3N4O3/c1-2-3-7-24(35)33-23-11-9-17(14-32-23)16-8-10-21-20(12-16)25-22(15-31-21)37-26(36)34(25)19-6-4-5-18(13-19)27(28,29)30/h4-6,8-15H,2-3,7H2,1H3,(H,32,33,35)
InChIKeyZPINKSUPPJONQE-UHFFFAOYSA-N
XLogP6.34
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.48
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-8-yl]-2-pyridinyl]pentanamide?
The IUPAC name of N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-8-yl]-2-pyridinyl]pentanamide (CID 155249540) is N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-8-yl]-2-pyridinyl]pentanamide.
What is the SMILES notation for N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-8-yl]-2-pyridinyl]pentanamide?
The canonical SMILES for N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-8-yl]-2-pyridinyl]pentanamide is CCCCC(=O)Nc1ccc(-c2ccc3ncc4oc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1.
What is the InChIKey of N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-8-yl]-2-pyridinyl]pentanamide?
The InChIKey is ZPINKSUPPJONQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F3N4O3/c1-2-3-7-24(35)33-23-11-9-17(14-32-23)16-8-10-21-20(12-16)25-22(15-31-21)37-26(36)34(25)19-6-4-5-18(13-19)27(28,29)30/h4-6,8-15H,2-3,7H2,1H3,(H,32,33,35).
What are the key properties of N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-8-yl]-2-pyridinyl]pentanamide?
N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-8-yl]-2-pyridinyl]pentanamide has a molecular weight of 506.48 g/mol, XLogP of 6.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-8-yl]-2-pyridinyl]pentanamide is sourced from PubChem (CID 155249540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).