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

C14H17NO — CID 118654545

IUPAC3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(C2CCCc3ccccc32)C1
InChIInChI=1S/C14H17NO/c1-10-9-14(16-15-10)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,13-14H,4,6,8-9H2,1H3
InChIKeyLCDBVDGCDUSNHN-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.27
Rot. Bonds1

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

3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,2-oxazole (PubChem CID 118654545) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,2-oxazole
PubChem CID118654545
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(C2CCCc3ccccc32)C1
InChIInChI=1S/C14H17NO/c1-10-9-14(16-15-10)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,13-14H,4,6,8-9H2,1H3
InChIKeyLCDBVDGCDUSNHN-UHFFFAOYSA-N
XLogP3.27
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 91190032
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydrochromen-4-one
CID 90717668
4-methyl-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-furan-5-one
CID 90721779
(2R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]oxolane
CID 11550131
2,5-dimethyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrole
CID 94161380
1-cyclopentyl-1,2,3,4-tetrahydronaphthalene;pentane
CID 158506578
5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 123902879
2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
CID 13350945
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 22102285
1-cyclohex-2-en-1-yl-1,2,3,4-tetrahydronaphthalene
CID 123727569
ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 144973609
1-tert-butyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 23542126

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,2-oxazole (CID 118654545) is 3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,2-oxazole is CC1=NOC(C2CCCc3ccccc32)C1.
What is the InChIKey of 3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,2-oxazole?
The InChIKey is LCDBVDGCDUSNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-9-14(16-15-10)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,13-14H,4,6,8-9H2,1H3.
What are the key properties of 3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,2-oxazole?
3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,2-oxazole has a molecular weight of 215.30 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 118654545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).