5-methyl-N-[2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]-1,3-oxazole-4-carboxamide

C19H21N3O2 — CID 74249304

IUPAC5-methyl-N-[2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCCc1c(C)n2c3c(cccc13)CCC2
InChIInChI=1S/C19H21N3O2/c1-12-15(8-9-20-19(23)17-13(2)24-11-21-17)16-7-3-5-14-6-4-10-22(12)18(14)16/h3,5,7,11H,4,6,8-10H2,1-2H3,(H,20,23)
InChIKeyLVGIXENGOBIGGW-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.16
Rot. Bonds4

About 5-methyl-N-[2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]-1,3-oxazole-4-carboxamide

5-methyl-N-[2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 74249304) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-methyl-N-[2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID74249304
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name5-methyl-N-[2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCCc1c(C)n2c3c(cccc13)CCC2
InChIInChI=1S/C19H21N3O2/c1-12-15(8-9-20-19(23)17-13(2)24-11-21-17)16-7-3-5-14-6-4-10-22(12)18(14)16/h3,5,7,11H,4,6,8-10H2,1-2H3,(H,20,23)
InChIKeyLVGIXENGOBIGGW-UHFFFAOYSA-N
XLogP3.16
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]-1,3-oxazole-4-carboxamide (CID 74249304) is 5-methyl-N-[2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NCCc1c(C)n2c3c(cccc13)CCC2.
What is the InChIKey of 5-methyl-N-[2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is LVGIXENGOBIGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12-15(8-9-20-19(23)17-13(2)24-11-21-17)16-7-3-5-14-6-4-10-22(12)18(14)16/h3,5,7,11H,4,6,8-10H2,1-2H3,(H,20,23).
What are the key properties of 5-methyl-N-[2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]-1,3-oxazole-4-carboxamide?
5-methyl-N-[2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 74249304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).