2-(1-ethylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole

C17H19NO — CID 10848489

IUPAC2-(1-ethylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1c(C2=NC(C)(C)CO2)ccc2ccccc12
InChIInChI=1S/C17H19NO/c1-4-13-14-8-6-5-7-12(14)9-10-15(13)16-18-17(2,3)11-19-16/h5-10H,4,11H2,1-3H3
InChIKeyMSGHAGXRBOLFIS-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.96
Rot. Bonds2

About 2-(1-ethylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole

2-(1-ethylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 10848489) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(1-ethylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(1-ethylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID10848489
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2-(1-ethylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1c(C2=NC(C)(C)CO2)ccc2ccccc12
InChIInChI=1S/C17H19NO/c1-4-13-14-8-6-5-7-12(14)9-10-15(13)16-18-17(2,3)11-19-16/h5-10H,4,11H2,1-3H3
InChIKeyMSGHAGXRBOLFIS-UHFFFAOYSA-N
XLogP3.96
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-2-naphthalen-1-yl-5H-1,3-oxazole
CID 4299365
2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride
CID 21275658
4,4-dimethyl-2-(1-naphthalen-1-ylnaphthalen-2-yl)-5H-1,3-oxazole
CID 11810281
2-(4-methoxy-2-naphthalen-1-ylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 101241587
4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)naphthalene-1,2-diol
CID 135501614
2-[4-[7-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]benzo[a]anthracen-12-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250470
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline
CID 10583839
2-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 101238575
2-[2-(bromomethyl)-3,4-dimethoxyphenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 23043950
4,4-dimethyl-2-(2-methylsulfanylphenyl)-5H-1,3-oxazole
CID 13047584
2-[3-(2,6-diethylphenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 70461573
carbon monoxide;chromium;4,4-dimethyl-2-(2-methylphenyl)-5H-1,3-oxazole
CID 11823541

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(1-ethylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole (CID 10848489) is 2-(1-ethylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(1-ethylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(1-ethylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole is CCc1c(C2=NC(C)(C)CO2)ccc2ccccc12.
What is the InChIKey of 2-(1-ethylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is MSGHAGXRBOLFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-4-13-14-8-6-5-7-12(14)9-10-15(13)16-18-17(2,3)11-19-16/h5-10H,4,11H2,1-3H3.
What are the key properties of 2-(1-ethylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
2-(1-ethylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 253.34 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 10848489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).