2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one

C15H18N2O2 — CID 83205719

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
SMILESCc1noc(C)c1Cn1cc2c(c1)C(=O)CCCC2
InChIInChI=1S/C15H18N2O2/c1-10-13(11(2)19-16-10)8-17-7-12-5-3-4-6-15(18)14(12)9-17/h7,9H,3-6,8H2,1-2H3
InChIKeyYWTSJNRXVIJANF-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.05
Rot. Bonds2

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one (PubChem CID 83205719) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
PubChem CID83205719
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
SMILESCc1noc(C)c1Cn1cc2c(c1)C(=O)CCCC2
InChIInChI=1S/C15H18N2O2/c1-10-13(11(2)19-16-10)8-17-7-12-5-3-4-6-15(18)14(12)9-17/h7,9H,3-6,8H2,1-2H3
InChIKeyYWTSJNRXVIJANF-UHFFFAOYSA-N
XLogP3.05
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one (CID 83205719) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one is Cc1noc(C)c1Cn1cc2c(c1)C(=O)CCCC2.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
The InChIKey is YWTSJNRXVIJANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-13(11(2)19-16-10)8-17-7-12-5-3-4-6-15(18)14(12)9-17/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one has a molecular weight of 258.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one is sourced from PubChem (CID 83205719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).