4-(6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazol-3-yl)-N,N-dimethylaniline

C20H22N2O3 — CID 71592309

IUPAC4-(6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazol-3-yl)-N,N-dimethylaniline
SMILESCOc1cc2c(cc1OC)C1=NOC(c3ccc(N(C)C)cc3)C1C2
InChIInChI=1S/C20H22N2O3/c1-22(2)14-7-5-12(6-8-14)20-16-9-13-10-17(23-3)18(24-4)11-15(13)19(16)21-25-20/h5-8,10-11,16,20H,9H2,1-4H3
InChIKeyBXDWTLSTWLGIPV-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.42
Rot. Bonds4

About 4-(6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazol-3-yl)-N,N-dimethylaniline

4-(6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazol-3-yl)-N,N-dimethylaniline (PubChem CID 71592309) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-(6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazol-3-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazol-3-yl)-N,N-dimethylaniline
PubChem CID71592309
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-(6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazol-3-yl)-N,N-dimethylaniline
SMILESCOc1cc2c(cc1OC)C1=NOC(c3ccc(N(C)C)cc3)C1C2
InChIInChI=1S/C20H22N2O3/c1-22(2)14-7-5-12(6-8-14)20-16-9-13-10-17(23-3)18(24-4)11-15(13)19(16)21-25-20/h5-8,10-11,16,20H,9H2,1-4H3
InChIKeyBXDWTLSTWLGIPV-UHFFFAOYSA-N
XLogP3.42
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazol-3-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazol-3-yl)-N,N-dimethylaniline (CID 71592309) is 4-(6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazol-3-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazol-3-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazol-3-yl)-N,N-dimethylaniline is COc1cc2c(cc1OC)C1=NOC(c3ccc(N(C)C)cc3)C1C2.
What is the InChIKey of 4-(6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazol-3-yl)-N,N-dimethylaniline?
The InChIKey is BXDWTLSTWLGIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-22(2)14-7-5-12(6-8-14)20-16-9-13-10-17(23-3)18(24-4)11-15(13)19(16)21-25-20/h5-8,10-11,16,20H,9H2,1-4H3.
What are the key properties of 4-(6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazol-3-yl)-N,N-dimethylaniline?
4-(6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazol-3-yl)-N,N-dimethylaniline has a molecular weight of 338.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazol-3-yl)-N,N-dimethylaniline is sourced from PubChem (CID 71592309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).