(5R,10bS)-2-(4-methylphenyl)-5-(3-phenyl-2,1-benzoxazol-5-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

C30H23N3O2 — CID 40837305

IUPAC(5R,10bS)-2-(4-methylphenyl)-5-(3-phenyl-2,1-benzoxazol-5-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCc1ccc(C2=NN3[C@@H](c4ccc5noc(-c6ccccc6)c5c4)Oc4ccccc4[C@@H]3C2)cc1
InChIInChI=1S/C30H23N3O2/c1-19-11-13-20(14-12-19)26-18-27-23-9-5-6-10-28(23)34-30(33(27)31-26)22-15-16-25-24(17-22)29(35-32-25)21-7-3-2-4-8-21/h2-17,27,30H,18H2,1H3/t27-,30+/m0/s1
InChIKeyRDPKHWZYLWAYNE-BHBYDHKZSA-N
MW457.53 g/mol
LogP7.05
Rot. Bonds3

About (5R,10bS)-2-(4-methylphenyl)-5-(3-phenyl-2,1-benzoxazol-5-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

(5R,10bS)-2-(4-methylphenyl)-5-(3-phenyl-2,1-benzoxazol-5-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 40837305) has the molecular formula C30H23N3O2 and a molecular weight of 457.53 g/mol. Its IUPAC name is (5R,10bS)-2-(4-methylphenyl)-5-(3-phenyl-2,1-benzoxazol-5-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name(5R,10bS)-2-(4-methylphenyl)-5-(3-phenyl-2,1-benzoxazol-5-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID40837305
Molecular FormulaC30H23N3O2
Molecular Weight457.53 g/mol
Exact Mass457.18
IUPAC Name(5R,10bS)-2-(4-methylphenyl)-5-(3-phenyl-2,1-benzoxazol-5-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCc1ccc(C2=NN3[C@@H](c4ccc5noc(-c6ccccc6)c5c4)Oc4ccccc4[C@@H]3C2)cc1
InChIInChI=1S/C30H23N3O2/c1-19-11-13-20(14-12-19)26-18-27-23-9-5-6-10-28(23)34-30(33(27)31-26)22-15-16-25-24(17-22)29(35-32-25)21-7-3-2-4-8-21/h2-17,27,30H,18H2,1H3/t27-,30+/m0/s1
InChIKeyRDPKHWZYLWAYNE-BHBYDHKZSA-N
XLogP7.05
TPSA50.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R,10bS)-2-(4-methylphenyl)-5-(3-phenyl-2,1-benzoxazol-5-yl)-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
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
(5S,10bS)-5-(3-fluorophenyl)-2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 124817503
(5S,10bR)-5-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 124724591
(5R,10bR)-2-(4-chlorophenyl)-5-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 42453903
(5R,10bS)-2,5-diphenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7064190
5-(4-tert-butylphenyl)-2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 3765446
5-(4-fluorophenyl)-2-(4-phenylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 5102440
(5S,10bS)-5-naphthalen-2-yl-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7177227
5-(3-fluorophenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 5109907
(5R,10bR)-5-(3-bromo-4-methoxyphenyl)-2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 92837794
(5R,10bR)-5-(3,4-dimethoxyphenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 25277084

Frequently Asked Questions

What is the IUPAC name of (5R,10bS)-2-(4-methylphenyl)-5-(3-phenyl-2,1-benzoxazol-5-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of (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) is (5R,10bS)-2-(4-methylphenyl)-5-(3-phenyl-2,1-benzoxazol-5-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for (5R,10bS)-2-(4-methylphenyl)-5-(3-phenyl-2,1-benzoxazol-5-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for (5R,10bS)-2-(4-methylphenyl)-5-(3-phenyl-2,1-benzoxazol-5-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is Cc1ccc(C2=NN3[C@@H](c4ccc5noc(-c6ccccc6)c5c4)Oc4ccccc4[C@@H]3C2)cc1.
What is the InChIKey of (5R,10bS)-2-(4-methylphenyl)-5-(3-phenyl-2,1-benzoxazol-5-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is RDPKHWZYLWAYNE-BHBYDHKZSA-N. The full InChI is InChI=1S/C30H23N3O2/c1-19-11-13-20(14-12-19)26-18-27-23-9-5-6-10-28(23)34-30(33(27)31-26)22-15-16-25-24(17-22)29(35-32-25)21-7-3-2-4-8-21/h2-17,27,30H,18H2,1H3/t27-,30+/m0/s1.
What are the key properties of (5R,10bS)-2-(4-methylphenyl)-5-(3-phenyl-2,1-benzoxazol-5-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
(5R,10bS)-2-(4-methylphenyl)-5-(3-phenyl-2,1-benzoxazol-5-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 457.53 g/mol, XLogP of 7.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,10bS)-2-(4-methylphenyl)-5-(3-phenyl-2,1-benzoxazol-5-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 40837305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).