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

C14H16N2O2 — CID 83205865

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
SMILESCc1cc(Cn2cc3c(c2)C(=O)CCCC3)no1
InChIInChI=1S/C14H16N2O2/c1-10-6-12(15-18-10)8-16-7-11-4-2-3-5-14(17)13(11)9-16/h6-7,9H,2-5,8H2,1H3
InChIKeyUZJMSRFXGPFBFW-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.74
Rot. Bonds2

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

2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one (PubChem CID 83205865) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
PubChem CID83205865
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
SMILESCc1cc(Cn2cc3c(c2)C(=O)CCCC3)no1
InChIInChI=1S/C14H16N2O2/c1-10-6-12(15-18-10)8-16-7-11-4-2-3-5-14(17)13(11)9-16/h6-7,9H,2-5,8H2,1H3
InChIKeyUZJMSRFXGPFBFW-UHFFFAOYSA-N
XLogP2.74
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one (CID 83205865) is 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one is Cc1cc(Cn2cc3c(c2)C(=O)CCCC3)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
The InChIKey is UZJMSRFXGPFBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-6-12(15-18-10)8-16-7-11-4-2-3-5-14(17)13(11)9-16/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one has a molecular weight of 244.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one is sourced from PubChem (CID 83205865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).