N-[4-[3-(cyclopropylmethyl)-6-methyl-2-oxo-1,3-benzoxazol-5-yl]phenyl]-2,6-difluorobenzamide

C25H20F2N2O3 — CID 86763757

IUPACN-[4-[3-(cyclopropylmethyl)-6-methyl-2-oxo-1,3-benzoxazol-5-yl]phenyl]-2,6-difluorobenzamide
SMILESCc1cc2oc(=O)n(CC3CC3)c2cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C25H20F2N2O3/c1-14-11-22-21(29(25(31)32-22)13-15-5-6-15)12-18(14)16-7-9-17(10-8-16)28-24(30)23-19(26)3-2-4-20(23)27/h2-4,7-12,15H,5-6,13H2,1H3,(H,28,30)
InChIKeyXIIPSOOMYGDRLX-UHFFFAOYSA-N
MW434.44 g/mol
LogP5.51
Rot. Bonds5

About N-[4-[3-(cyclopropylmethyl)-6-methyl-2-oxo-1,3-benzoxazol-5-yl]phenyl]-2,6-difluorobenzamide

N-[4-[3-(cyclopropylmethyl)-6-methyl-2-oxo-1,3-benzoxazol-5-yl]phenyl]-2,6-difluorobenzamide (PubChem CID 86763757) has the molecular formula C25H20F2N2O3 and a molecular weight of 434.44 g/mol. Its IUPAC name is N-[4-[3-(cyclopropylmethyl)-6-methyl-2-oxo-1,3-benzoxazol-5-yl]phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[3-(cyclopropylmethyl)-6-methyl-2-oxo-1,3-benzoxazol-5-yl]phenyl]-2,6-difluorobenzamide
PubChem CID86763757
Molecular FormulaC25H20F2N2O3
Molecular Weight434.44 g/mol
Exact Mass434.14
IUPAC NameN-[4-[3-(cyclopropylmethyl)-6-methyl-2-oxo-1,3-benzoxazol-5-yl]phenyl]-2,6-difluorobenzamide
SMILESCc1cc2oc(=O)n(CC3CC3)c2cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C25H20F2N2O3/c1-14-11-22-21(29(25(31)32-22)13-15-5-6-15)12-18(14)16-7-9-17(10-8-16)28-24(30)23-19(26)3-2-4-20(23)27/h2-4,7-12,15H,5-6,13H2,1H3,(H,28,30)
InChIKeyXIIPSOOMYGDRLX-UHFFFAOYSA-N
XLogP5.51
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.44
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[3-(cyclopropylmethyl)-6-methyl-2-oxo-1,3-benzoxazol-5-yl]phenyl]-2,6-difluorobenzamide with MolForge

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Related Compounds

N-[4-(5-ethyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide
CID 86764080
N-[6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide
CID 86764413
N-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide
CID 86764193
N-[4-[7-cyclopropyl-3-(difluoromethyl)-2-oxo-1,3-benzoxazol-6-yl]phenyl]-2,6-difluorobenzamide
CID 86764962
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
2,6-difluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)phenyl]benzamide
CID 87056586
3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 67515366
N-[4-(2,5-dichlorophenyl)phenyl]-2,6-difluorobenzamide
CID 11222663
2,6-difluoro-N-[4-[2-(hydroxymethyl)-2,8-dimethyl-4-oxo-4a,8a-dihydro-3H-chromen-7-yl]phenyl]benzamide
CID 123565917
[3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazol-5-yl] formate
CID 118473087
5-tert-butyl-3-(cyclopropylmethyl)-1,3-benzoxazol-2-one
CID 118259001
2,6-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64794940

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(cyclopropylmethyl)-6-methyl-2-oxo-1,3-benzoxazol-5-yl]phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-[3-(cyclopropylmethyl)-6-methyl-2-oxo-1,3-benzoxazol-5-yl]phenyl]-2,6-difluorobenzamide (CID 86763757) is N-[4-[3-(cyclopropylmethyl)-6-methyl-2-oxo-1,3-benzoxazol-5-yl]phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[4-[3-(cyclopropylmethyl)-6-methyl-2-oxo-1,3-benzoxazol-5-yl]phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-[3-(cyclopropylmethyl)-6-methyl-2-oxo-1,3-benzoxazol-5-yl]phenyl]-2,6-difluorobenzamide is Cc1cc2oc(=O)n(CC3CC3)c2cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of N-[4-[3-(cyclopropylmethyl)-6-methyl-2-oxo-1,3-benzoxazol-5-yl]phenyl]-2,6-difluorobenzamide?
The InChIKey is XIIPSOOMYGDRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O3/c1-14-11-22-21(29(25(31)32-22)13-15-5-6-15)12-18(14)16-7-9-17(10-8-16)28-24(30)23-19(26)3-2-4-20(23)27/h2-4,7-12,15H,5-6,13H2,1H3,(H,28,30).
What are the key properties of N-[4-[3-(cyclopropylmethyl)-6-methyl-2-oxo-1,3-benzoxazol-5-yl]phenyl]-2,6-difluorobenzamide?
N-[4-[3-(cyclopropylmethyl)-6-methyl-2-oxo-1,3-benzoxazol-5-yl]phenyl]-2,6-difluorobenzamide has a molecular weight of 434.44 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(cyclopropylmethyl)-6-methyl-2-oxo-1,3-benzoxazol-5-yl]phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 86763757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).