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

C14H13NO — CID 23643899

IUPAC5-methyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
SMILESCC1CC(c2ccc3ccccc3c2)=NO1
InChIInChI=1S/C14H13NO/c1-10-8-14(15-16-10)13-7-6-11-4-2-3-5-12(11)9-13/h2-7,9-10H,8H2,1H3
InChIKeyLSBLRECMLHKUNP-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.35
Rot. Bonds1

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

5-methyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole (PubChem CID 23643899) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-methyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
PubChem CID23643899
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name5-methyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
SMILESCC1CC(c2ccc3ccccc3c2)=NO1
InChIInChI=1S/C14H13NO/c1-10-8-14(15-16-10)13-7-6-11-4-2-3-5-12(11)9-13/h2-7,9-10H,8H2,1H3
InChIKeyLSBLRECMLHKUNP-UHFFFAOYSA-N
XLogP3.35
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-Naphthyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol
CID 2742980
(1E)-N-Hydroxy-1-(naphthalen-1-yl)ethanimine
CID 9569633
(5R)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
CID 71561576
Phosphinic acid, (4,5-dihydro-3-(1-naphthalenyl)-5-isoxazolyl)methyl-
CID 3079425
(5R)-5-benzyl-3-naphthalen-1-yl-4,5-dihydro-1,2-oxazole
CID 71561574
(5S)-5-benzyl-3-naphthalen-1-yl-4,5-dihydro-1,2-oxazole
CID 71561575
(5S)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
CID 71561705
3-Phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 15445645
5-(Naphthalen-2-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 24881548
5-(Naphthalen-1-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 24881682
3-Naphthalen-1-yl-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole
CID 71451463
1-(Naphthalen-2-yl)ethanone oxime
CID 9561992

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-methyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole (CID 23643899) is 5-methyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-methyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole is CC1CC(c2ccc3ccccc3c2)=NO1.
What is the InChIKey of 5-methyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is LSBLRECMLHKUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-10-8-14(15-16-10)13-7-6-11-4-2-3-5-12(11)9-13/h2-7,9-10H,8H2,1H3.
What are the key properties of 5-methyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole?
5-methyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 211.26 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 23643899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).