5-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

C30H22ClN3O3 — CID 18874831

IUPAC5-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCOc1cccc2c1OC(c1ccc3noc(-c4ccc(Cl)cc4)c3c1)N1N=C(c3ccccc3)CC21
InChIInChI=1S/C30H22ClN3O3/c1-35-27-9-5-8-22-26-17-25(18-6-3-2-4-7-18)32-34(26)30(36-29(22)27)20-12-15-24-23(16-20)28(37-33-24)19-10-13-21(31)14-11-19/h2-16,26,30H,17H2,1H3
InChIKeyXUVNIQIBSSDGPD-UHFFFAOYSA-N
MW507.98 g/mol
LogP7.40
Rot. Bonds4

About 5-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

5-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 18874831) has the molecular formula C30H22ClN3O3 and a molecular weight of 507.98 g/mol. Its IUPAC name is 5-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name5-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID18874831
Molecular FormulaC30H22ClN3O3
Molecular Weight507.98 g/mol
Exact Mass507.13
IUPAC Name5-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCOc1cccc2c1OC(c1ccc3noc(-c4ccc(Cl)cc4)c3c1)N1N=C(c3ccccc3)CC21
InChIInChI=1S/C30H22ClN3O3/c1-35-27-9-5-8-22-26-17-25(18-6-3-2-4-7-18)32-34(26)30(36-29(22)27)20-12-15-24-23(16-20)28(37-33-24)19-10-13-21(31)14-11-19/h2-16,26,30H,17H2,1H3
InChIKeyXUVNIQIBSSDGPD-UHFFFAOYSA-N
XLogP7.40
TPSA60.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.98
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine with MolForge

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

Launch Full Analysis

Related Compounds

(5R,10bR)-2-(4-chlorophenyl)-5-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 42100411
(5R,10bS)-2-(4-methylphenyl)-5-(3-phenyl-2,1-benzoxazol-5-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 40837305
(5S,10bR)-5-(4-chlorophenyl)-7-methoxy-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7167365
2-(4-chlorophenyl)-7-methoxy-5-(2-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4091201
(5S,10bS)-7-methoxy-2,5-diphenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7167345
(5S,10bR)-5-(3-chlorophenyl)-2-(4-fluorophenyl)-7-methoxy-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 51405955
(5R,10bR)-7-methoxy-5-(4-methoxyphenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 42453975
(5S,10bS)-7-methoxy-2-phenyl-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7493635
5-(3,4-difluorophenyl)-7-methoxy-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 6616962
(5R,10bR)-2-(4-chlorophenyl)-7-methoxy-5-(3-nitrophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 40838700
2-(4-chlorophenyl)-5-(2,4-dimethoxyphenyl)-7-methoxy-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 3435238
(5S,10bR)-2-(4-chlorophenyl)-7-methoxy-5-(4-nitrophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 92957759

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of 5-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (CID 18874831) is 5-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for 5-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for 5-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is COc1cccc2c1OC(c1ccc3noc(-c4ccc(Cl)cc4)c3c1)N1N=C(c3ccccc3)CC21.
What is the InChIKey of 5-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is XUVNIQIBSSDGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22ClN3O3/c1-35-27-9-5-8-22-26-17-25(18-6-3-2-4-7-18)32-34(26)30(36-29(22)27)20-12-15-24-23(16-20)28(37-33-24)19-10-13-21(31)14-11-19/h2-16,26,30H,17H2,1H3.
What are the key properties of 5-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
5-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 507.98 g/mol, XLogP of 7.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 18874831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).