CID 143087736

C20H23BClN2O3 — CID 143087736

IUPAC—
SMILESCc1cc(Cl)cc2nc(Nc3ccc([B]OC(C)(C)C(C)(C)O)cc3)oc12
InChIInChI=1S/C20H23BClN2O3/c1-12-10-14(22)11-16-17(12)26-18(24-16)23-15-8-6-13(7-9-15)21-27-20(4,5)19(2,3)25/h6-11,25H,1-5H3,(H,23,24)
InChIKeyPMHCKRAENBTSPR-UHFFFAOYSA-N
MW385.68 g/mol
LogP4.34
Rot. Bonds6

About CID 143087736

CID 143087736 (PubChem CID 143087736) has the molecular formula C20H23BClN2O3 and a molecular weight of 385.68 g/mol.

Molecular Properties

Compound NameCID 143087736
PubChem CID143087736
Molecular FormulaC20H23BClN2O3
Molecular Weight385.68 g/mol
Exact Mass385.15
IUPAC Name—
SMILESCc1cc(Cl)cc2nc(Nc3ccc([B]OC(C)(C)C(C)(C)O)cc3)oc12
InChIInChI=1S/C20H23BClN2O3/c1-12-10-14(22)11-16-17(12)26-18(24-16)23-15-8-6-13(7-9-15)21-27-20(4,5)19(2,3)25/h6-11,25H,1-5H3,(H,23,24)
InChIKeyPMHCKRAENBTSPR-UHFFFAOYSA-N
XLogP4.34
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.68
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 90297885
N-[4-(4-amino-1H-pyrazol-5-yl)phenyl]-5,7-dimethyl-1,3-benzoxazol-2-amine
CID 141059464
5-chloro-7-methyl-1,3-benzoxazol-2-amine
CID 62368889
acetic acid;3-[4-amino-5-[4-[(5-chloro-7-methyl-1,3-benzoxazol-2-yl)amino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentan-1-ol
CID 68800697
CID 174013969
CID 174013969
CID 176701672
CID 176701672
CID 170746470
CID 170746470
CID 123282622
CID 123282622
N-[4-[methyl(2,3,3-trimethylbutan-2-yloxy)boranyl]phenyl]-1,3-benzoxazol-2-amine
CID 142172636
CID 163639190
CID 163639190
CID 142296837
CID 142296837
N-(4-bromophenyl)-5-methyl-7-prop-2-enyl-1,3-benzoxazol-2-amine
CID 58597142

Frequently Asked Questions

What is the IUPAC name of CID 143087736?
The IUPAC name of CID 143087736 (CID 143087736) is not available.
What is the SMILES notation for CID 143087736?
The canonical SMILES for CID 143087736 is Cc1cc(Cl)cc2nc(Nc3ccc([B]OC(C)(C)C(C)(C)O)cc3)oc12.
What is the InChIKey of CID 143087736?
The InChIKey is PMHCKRAENBTSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BClN2O3/c1-12-10-14(22)11-16-17(12)26-18(24-16)23-15-8-6-13(7-9-15)21-27-20(4,5)19(2,3)25/h6-11,25H,1-5H3,(H,23,24).
What are the key properties of CID 143087736?
CID 143087736 has a molecular weight of 385.68 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143087736 is sourced from PubChem (CID 143087736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).