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

C14H13NO — CID 135228169

IUPAC2-methyl-4-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
SMILESCC1=NC(c2cccc3ccccc23)CO1
InChIInChI=1S/C14H13NO/c1-10-15-14(9-16-10)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14H,9H2,1H3
InChIKeyUVJZCRXUOUVJNW-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.33
Rot. Bonds1

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

2-methyl-4-naphthalen-1-yl-4,5-dihydro-1,3-oxazole (PubChem CID 135228169) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-methyl-4-naphthalen-1-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
PubChem CID135228169
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name2-methyl-4-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
SMILESCC1=NC(c2cccc3ccccc23)CO1
InChIInChI=1S/C14H13NO/c1-10-15-14(9-16-10)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14H,9H2,1H3
InChIKeyUVJZCRXUOUVJNW-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole
CID 158585991
3-methyl-2-naphthalen-1-yl-2H-azirine
CID 11217607
2-naphthalen-1-yl-3,4-dihydro-2H-pyrrol-5-amine
CID 123204598
3-naphthalen-1-yloxetan-2-one
CID 154509652
2-naphthalen-1-yl-2,3,4,5-tetrahydropyridine
CID 54298424
(2R,3R)-N,4-dimethyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide
CID 101112915
2-naphthalen-1-ylcyclopropan-1-amine
CID 43810345
5-naphthalen-1-yl-5H-tetrazole
CID 174663110
4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole;ethane
CID 142401664
2,2-dimethyl-3-naphthalen-1-yloxirane
CID 116864134
(4S,5R)-2-[2-[(4S,5R)-4,5-dinaphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dinaphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 66552817
2-naphthalen-1-yl-1,3-dioxole
CID 67839712

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-naphthalen-1-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-methyl-4-naphthalen-1-yl-4,5-dihydro-1,3-oxazole (CID 135228169) is 2-methyl-4-naphthalen-1-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-naphthalen-1-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-methyl-4-naphthalen-1-yl-4,5-dihydro-1,3-oxazole is CC1=NC(c2cccc3ccccc23)CO1.
What is the InChIKey of 2-methyl-4-naphthalen-1-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is UVJZCRXUOUVJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-10-15-14(9-16-10)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14H,9H2,1H3.
What are the key properties of 2-methyl-4-naphthalen-1-yl-4,5-dihydro-1,3-oxazole?
2-methyl-4-naphthalen-1-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 211.26 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-naphthalen-1-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 135228169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).