N-[(2,4-difluorophenyl)methyl]-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-1-carboxamide

C29H24F2N2O2 — CID 42789930

IUPACN-[(2,4-difluorophenyl)methyl]-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-1-carboxamide
SMILESCc1ccc(C2=NOC(CN(Cc3ccc(F)cc3F)C(=O)c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C29H24F2N2O2/c1-19-9-11-21(12-10-19)28-16-24(35-32-28)18-33(17-22-13-14-23(30)15-27(22)31)29(34)26-8-4-6-20-5-2-3-7-25(20)26/h2-15,24H,16-18H2,1H3
InChIKeyXSIQXJZWBVCWMU-UHFFFAOYSA-N
MW470.52 g/mol
LogP6.26
Rot. Bonds6

About N-[(2,4-difluorophenyl)methyl]-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-1-carboxamide

N-[(2,4-difluorophenyl)methyl]-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-1-carboxamide (PubChem CID 42789930) has the molecular formula C29H24F2N2O2 and a molecular weight of 470.52 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-1-carboxamide
PubChem CID42789930
Molecular FormulaC29H24F2N2O2
Molecular Weight470.52 g/mol
Exact Mass470.18
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-1-carboxamide
SMILESCc1ccc(C2=NOC(CN(Cc3ccc(F)cc3F)C(=O)c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C29H24F2N2O2/c1-19-9-11-21(12-10-19)28-16-24(35-32-28)18-33(17-22-13-14-23(30)15-27(22)31)29(34)26-8-4-6-20-5-2-3-7-25(20)26/h2-15,24H,16-18H2,1H3
InChIKeyXSIQXJZWBVCWMU-UHFFFAOYSA-N
XLogP6.26
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.52
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Methylphenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134800960
2-fluoro-N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 24715344
N-ethyl-2-fluoro-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 46137884
N,N-dimethyl-3-pyren-1-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 59051473
(4-Methylphenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]methanone
CID 134791570
N-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 42815914
N-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 42815920
N-{[3-(4-fluorobenzyl)-4,5-dihydro-5-isoxazolyl]methyl}-3,4-dimethylbenzamide
CID 45177052
2-Fluoro-N-[(4-fluorophenyl)methyl]-N-{[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-YL]methyl}benzamide
CID 45977189
3-Fluoro-N-{[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-YL]methyl}-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
CID 45977215
3-Fluoro-N-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-YL]methyl}-N-{[4-(trifluoromethyl)phenyl]methyl}benzamide
CID 45977295
N-Benzyl-3-fluoro-N-{[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-YL]methyl}benzamide
CID 45977406

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-1-carboxamide (CID 42789930) is N-[(2,4-difluorophenyl)methyl]-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-1-carboxamide is Cc1ccc(C2=NOC(CN(Cc3ccc(F)cc3F)C(=O)c3cccc4ccccc34)C2)cc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-1-carboxamide?
The InChIKey is XSIQXJZWBVCWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F2N2O2/c1-19-9-11-21(12-10-19)28-16-24(35-32-28)18-33(17-22-13-14-23(30)15-27(22)31)29(34)26-8-4-6-20-5-2-3-7-25(20)26/h2-15,24H,16-18H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-1-carboxamide?
N-[(2,4-difluorophenyl)methyl]-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-1-carboxamide has a molecular weight of 470.52 g/mol, XLogP of 6.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 42789930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).