2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane

C12H17NO — CID 170595636

IUPAC2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane
SMILESCC.Cc1nc2c(o1)C=CC=CC2C
InChIInChI=1S/C10H11NO.C2H6/c1-7-5-3-4-6-9-10(7)11-8(2)12-9;1-2/h3-7H,1-2H3;1-2H3
InChIKeyGMHMQIZBTRSQTG-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.70
Rot. Bonds

About 2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane

2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane (PubChem CID 170595636) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane.

Molecular Properties

Compound Name2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane
PubChem CID170595636
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane
SMILESCC.Cc1nc2c(o1)C=CC=CC2C
InChIInChI=1S/C10H11NO.C2H6/c1-7-5-3-4-6-9-10(7)11-8(2)12-9;1-2/h3-7H,1-2H3;1-2H3
InChIKeyGMHMQIZBTRSQTG-UHFFFAOYSA-N
XLogP3.70
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methyl-6,6a-dihydro-5aH-cyclopropa[e][1,3]benzoxazole
CID 167449512
2,6-dimethyl-6H-cyclohepta[d][1,3]oxazole;ethene
CID 143975792
4-methyl-2,4-dihydrocyclohepta[d]triazole
CID 143207550
2,4-dimethyl-5,6-di(propan-2-yl)-4,5-dihydro-1,3-benzoxazole
CID 176693929
5-ethylidene-6-methylcyclohexa-1,3-diene
CID 123649762
2-methyl-4,5-dihydro-1,3-benzoxazole
CID 123308779
9aH-benzo[7]annulen-5-ylmethanamine
CID 88809253
(5S)-5-methyl-5H-cyclohepta[b]pyridine
CID 143833793
difluorozirconium;1,5-dimethylcyclopenta-1,3-diene
CID 174427609
(2,3-dimethylcyclohepta-1,4,6-trien-1-yl)-hydroxy-oxo-sulfanylidene-λ6-sulfane
CID 123330518
5-(5,13-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione
CID 70113764
ethane;5-methylcyclopenta-1,3-diene
CID 91295870

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane?
The IUPAC name of 2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane (CID 170595636) is 2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane.
What is the SMILES notation for 2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane?
The canonical SMILES for 2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane is CC.Cc1nc2c(o1)C=CC=CC2C.
What is the InChIKey of 2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane?
The InChIKey is GMHMQIZBTRSQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C2H6/c1-7-5-3-4-6-9-10(7)11-8(2)12-9;1-2/h3-7H,1-2H3;1-2H3.
What are the key properties of 2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane?
2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane has a molecular weight of 191.27 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane is sourced from PubChem (CID 170595636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).