3,6-dihydro-2H-cyclohepta[d][1,3]oxazole;ethane

C10H15NO — CID 143229970

IUPAC3,6-dihydro-2H-cyclohepta[d][1,3]oxazole;ethane
SMILESC1=CC2=C(C=CC1)OCN2.CC
InChIInChI=1S/C8H9NO.C2H6/c1-2-4-7-8(5-3-1)10-6-9-7;1-2/h2-5,9H,1,6H2;1-2H3
InChIKeyHPRMRJMFUUPRCP-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.32
Rot. Bonds

About 3,6-dihydro-2H-cyclohepta[d][1,3]oxazole;ethane

3,6-dihydro-2H-cyclohepta[d][1,3]oxazole;ethane (PubChem CID 143229970) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3,6-dihydro-2H-cyclohepta[d][1,3]oxazole;ethane.

Molecular Properties

Compound Name3,6-dihydro-2H-cyclohepta[d][1,3]oxazole;ethane
PubChem CID143229970
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3,6-dihydro-2H-cyclohepta[d][1,3]oxazole;ethane
SMILESC1=CC2=C(C=CC1)OCN2.CC
InChIInChI=1S/C8H9NO.C2H6/c1-2-4-7-8(5-3-1)10-6-9-7;1-2/h2-5,9H,1,6H2;1-2H3
InChIKeyHPRMRJMFUUPRCP-UHFFFAOYSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine
CID 134365758
5-(difluoromethoxy)-N-methylcyclohepta-1,4,6-trien-1-amine
CID 134365783
4-fluoro-3-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine
CID 142969724
3-[5-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 88992990
5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole
CID 89386699
6-methoxy-N-methylcyclohepta-1,2,4,6-tetraen-1-amine
CID 89983569
6,6-Dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole
CID 126516952
2-chloro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine
CID 134365721
5,5-Dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole
CID 138722222
4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole
CID 139460781
2-ethoxy-N-methylcyclopenta-1,3-dien-1-amine
CID 140101346
N-ethyl-2-methoxycyclopenta-1,3-dien-1-amine
CID 140101398

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-cyclohepta[d][1,3]oxazole;ethane?
The IUPAC name of 3,6-dihydro-2H-cyclohepta[d][1,3]oxazole;ethane (CID 143229970) is 3,6-dihydro-2H-cyclohepta[d][1,3]oxazole;ethane.
What is the SMILES notation for 3,6-dihydro-2H-cyclohepta[d][1,3]oxazole;ethane?
The canonical SMILES for 3,6-dihydro-2H-cyclohepta[d][1,3]oxazole;ethane is C1=CC2=C(C=CC1)OCN2.CC.
What is the InChIKey of 3,6-dihydro-2H-cyclohepta[d][1,3]oxazole;ethane?
The InChIKey is HPRMRJMFUUPRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C2H6/c1-2-4-7-8(5-3-1)10-6-9-7;1-2/h2-5,9H,1,6H2;1-2H3.
What are the key properties of 3,6-dihydro-2H-cyclohepta[d][1,3]oxazole;ethane?
3,6-dihydro-2H-cyclohepta[d][1,3]oxazole;ethane has a molecular weight of 165.24 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-cyclohepta[d][1,3]oxazole;ethane is sourced from PubChem (CID 143229970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).