2-methyl-5-naphthalen-1-yl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole

C15H12F3NO — CID 122379466

IUPAC2-methyl-5-naphthalen-1-yl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
SMILESCC1=NC(C(F)(F)F)C(c2cccc3ccccc23)O1
InChIInChI=1S/C15H12F3NO/c1-9-19-14(15(16,17)18)13(20-9)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13-14H,1H3
InChIKeyINFUDRQGFYTAIP-UHFFFAOYSA-N
MW279.26 g/mol
LogP4.26
Rot. Bonds1

About 2-methyl-5-naphthalen-1-yl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole

2-methyl-5-naphthalen-1-yl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 122379466) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-methyl-5-naphthalen-1-yl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-5-naphthalen-1-yl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
PubChem CID122379466
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name2-methyl-5-naphthalen-1-yl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
SMILESCC1=NC(C(F)(F)F)C(c2cccc3ccccc23)O1
InChIInChI=1S/C15H12F3NO/c1-9-19-14(15(16,17)18)13(20-9)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13-14H,1H3
InChIKeyINFUDRQGFYTAIP-UHFFFAOYSA-N
XLogP4.26
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Isopropyl-2-(1-naphthyl)-2-oxazoline
CID 9547837
2-(2,6-Difluorophenyl)-4-(2-methyl-4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15008036
(4R,5S)-4-Fluoromethyl-4,5-dihydro-2-methyl-5-phenyl-1,3-oxazole
CID 25020817
2-Naphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 293474
2-Methyl-4,5-diphenyl-4,5-dihydrooxazole
CID 583045
trans-4,5-Dihydro-4-methyl-5-phenyl-2-trifluoro-methyloxazole
CID 129708533
trans-4,5-Dihydro-4-methyl-5-phenyl-2-trifluoromethyl-oxazole
CID 129708552
(3S,4R)-2'-methyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 134954189
4-(3,5-Bis(trifluoromethyl)phenyl)-2-(naphthalen-1-yl)-4,5-dihydrooxazole
CID 146025891
(3aS,6S,6aR)-6-(2-fluoropropan-2-yl)-2-naphthalen-1-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
CID 154713366
(3aS,5R,6R,6aR)-5-fluoro-6-methyl-2-naphthalen-1-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
CID 154714727
Oxazole, 4,5-dihydro-4,4-dimethyl-2-(1-naphthalenyl)-
CID 4299365

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-naphthalen-1-yl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-methyl-5-naphthalen-1-yl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole (CID 122379466) is 2-methyl-5-naphthalen-1-yl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-methyl-5-naphthalen-1-yl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-methyl-5-naphthalen-1-yl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole is CC1=NC(C(F)(F)F)C(c2cccc3ccccc23)O1.
What is the InChIKey of 2-methyl-5-naphthalen-1-yl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is INFUDRQGFYTAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-9-19-14(15(16,17)18)13(20-9)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13-14H,1H3.
What are the key properties of 2-methyl-5-naphthalen-1-yl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole?
2-methyl-5-naphthalen-1-yl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 279.26 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-naphthalen-1-yl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 122379466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).