4-(5-amino-1,2-oxazol-4-yl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol

C14H15ClN2O2 — CID 117447052

IUPAC4-(5-amino-1,2-oxazol-4-yl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
SMILESNc1oncc1-c1c(O)c(Cl)cc2c1CCCCC2
InChIInChI=1S/C14H15ClN2O2/c15-11-6-8-4-2-1-3-5-9(8)12(13(11)18)10-7-17-19-14(10)16/h6-7,18H,1-5,16H2
InChIKeyBMDPMTWCBVKQED-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.55
Rot. Bonds1

About 4-(5-amino-1,2-oxazol-4-yl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol

4-(5-amino-1,2-oxazol-4-yl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol (PubChem CID 117447052) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-(5-amino-1,2-oxazol-4-yl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol.

Molecular Properties

Compound Name4-(5-amino-1,2-oxazol-4-yl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
PubChem CID117447052
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-(5-amino-1,2-oxazol-4-yl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
SMILESNc1oncc1-c1c(O)c(Cl)cc2c1CCCCC2
InChIInChI=1S/C14H15ClN2O2/c15-11-6-8-4-2-1-3-5-9(8)12(13(11)18)10-7-17-19-14(10)16/h6-7,18H,1-5,16H2
InChIKeyBMDPMTWCBVKQED-UHFFFAOYSA-N
XLogP3.55
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(5-amino-1,2-oxazol-4-yl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,2-oxazol-4-yl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
The IUPAC name of 4-(5-amino-1,2-oxazol-4-yl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol (CID 117447052) is 4-(5-amino-1,2-oxazol-4-yl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol.
What is the SMILES notation for 4-(5-amino-1,2-oxazol-4-yl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
The canonical SMILES for 4-(5-amino-1,2-oxazol-4-yl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol is Nc1oncc1-c1c(O)c(Cl)cc2c1CCCCC2.
What is the InChIKey of 4-(5-amino-1,2-oxazol-4-yl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
The InChIKey is BMDPMTWCBVKQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-11-6-8-4-2-1-3-5-9(8)12(13(11)18)10-7-17-19-14(10)16/h6-7,18H,1-5,16H2.
What are the key properties of 4-(5-amino-1,2-oxazol-4-yl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
4-(5-amino-1,2-oxazol-4-yl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol has a molecular weight of 278.74 g/mol, XLogP of 3.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,2-oxazol-4-yl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol is sourced from PubChem (CID 117447052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).