8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one

C19H18N2O3 — CID 91843166

IUPAC8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one
SMILESCc1cc(CN(C)Cc2ccc3c4c(cccc24)C(=O)OC3)no1
InChIInChI=1S/C19H18N2O3/c1-12-8-15(20-24-12)10-21(2)9-13-6-7-14-11-23-19(22)17-5-3-4-16(13)18(14)17/h3-8H,9-11H2,1-2H3
InChIKeyYHJAIXOPHCWMLR-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.44
Rot. Bonds4

About 8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one

8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one (PubChem CID 91843166) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one.

Molecular Properties

Compound Name8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one
PubChem CID91843166
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one
SMILESCc1cc(CN(C)Cc2ccc3c4c(cccc24)C(=O)OC3)no1
InChIInChI=1S/C19H18N2O3/c1-12-8-15(20-24-12)10-21(2)9-13-6-7-14-11-23-19(22)17-5-3-4-16(13)18(14)17/h3-8H,9-11H2,1-2H3
InChIKeyYHJAIXOPHCWMLR-UHFFFAOYSA-N
XLogP3.44
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one?
The IUPAC name of 8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one (CID 91843166) is 8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one.
What is the SMILES notation for 8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one?
The canonical SMILES for 8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one is Cc1cc(CN(C)Cc2ccc3c4c(cccc24)C(=O)OC3)no1.
What is the InChIKey of 8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one?
The InChIKey is YHJAIXOPHCWMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-8-15(20-24-12)10-21(2)9-13-6-7-14-11-23-19(22)17-5-3-4-16(13)18(14)17/h3-8H,9-11H2,1-2H3.
What are the key properties of 8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one?
8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one has a molecular weight of 322.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one is sourced from PubChem (CID 91843166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).