7-chloro-11-methyl-2-(1,3-oxazol-5-yl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene

C15H13ClN2O2 — CID 19977978

IUPAC7-chloro-11-methyl-2-(1,3-oxazol-5-yl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
SMILESCN1CCc2c(Cl)ccc3oc(-c4cnco4)c(c23)C1
InChIInChI=1S/C15H13ClN2O2/c1-18-5-4-9-11(16)2-3-12-14(9)10(7-18)15(20-12)13-6-17-8-19-13/h2-3,6,8H,4-5,7H2,1H3
InChIKeyDYHFODFQDQFNBZ-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.73
Rot. Bonds1

About 7-chloro-11-methyl-2-(1,3-oxazol-5-yl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene

7-chloro-11-methyl-2-(1,3-oxazol-5-yl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene (PubChem CID 19977978) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 7-chloro-11-methyl-2-(1,3-oxazol-5-yl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene.

Molecular Properties

Compound Name7-chloro-11-methyl-2-(1,3-oxazol-5-yl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
PubChem CID19977978
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name7-chloro-11-methyl-2-(1,3-oxazol-5-yl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
SMILESCN1CCc2c(Cl)ccc3oc(-c4cnco4)c(c23)C1
InChIInChI=1S/C15H13ClN2O2/c1-18-5-4-9-11(16)2-3-12-14(9)10(7-18)15(20-12)13-6-17-8-19-13/h2-3,6,8H,4-5,7H2,1H3
InChIKeyDYHFODFQDQFNBZ-UHFFFAOYSA-N
XLogP3.73
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-11-methyl-2-(1,3-oxazol-5-yl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene?
The IUPAC name of 7-chloro-11-methyl-2-(1,3-oxazol-5-yl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene (CID 19977978) is 7-chloro-11-methyl-2-(1,3-oxazol-5-yl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene.
What is the SMILES notation for 7-chloro-11-methyl-2-(1,3-oxazol-5-yl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene?
The canonical SMILES for 7-chloro-11-methyl-2-(1,3-oxazol-5-yl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene is CN1CCc2c(Cl)ccc3oc(-c4cnco4)c(c23)C1.
What is the InChIKey of 7-chloro-11-methyl-2-(1,3-oxazol-5-yl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene?
The InChIKey is DYHFODFQDQFNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-18-5-4-9-11(16)2-3-12-14(9)10(7-18)15(20-12)13-6-17-8-19-13/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 7-chloro-11-methyl-2-(1,3-oxazol-5-yl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene?
7-chloro-11-methyl-2-(1,3-oxazol-5-yl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene has a molecular weight of 288.73 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-11-methyl-2-(1,3-oxazol-5-yl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene is sourced from PubChem (CID 19977978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).