4-[3-(9-methylcarbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol

C21H15N3O2 — CID 137028421

IUPAC4-[3-(9-methylcarbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCn1c2ccccc2c2cc(-c3noc(-c4ccc(O)cc4)n3)ccc21
InChIInChI=1S/C21H15N3O2/c1-24-18-5-3-2-4-16(18)17-12-14(8-11-19(17)24)20-22-21(26-23-20)13-6-9-15(25)10-7-13/h2-12,25H,1H3
InChIKeyCQCNIUALDIQYPU-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.75
Rot. Bonds2

About 4-[3-(9-methylcarbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol

4-[3-(9-methylcarbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 137028421) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-[3-(9-methylcarbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(9-methylcarbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID137028421
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name4-[3-(9-methylcarbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCn1c2ccccc2c2cc(-c3noc(-c4ccc(O)cc4)n3)ccc21
InChIInChI=1S/C21H15N3O2/c1-24-18-5-3-2-4-16(18)17-12-14(8-11-19(17)24)20-22-21(26-23-20)13-6-9-15(25)10-7-13/h2-12,25H,1H3
InChIKeyCQCNIUALDIQYPU-UHFFFAOYSA-N
XLogP4.75
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1-Methylindol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137028378
4-[3-(1-Methylindol-6-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137028379
4-[3-(1-Benzylindol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137028411
4-[3-[4-(N-benzylanilino)phenyl]-1,2,4-oxadiazol-5-yl]phenol
CID 137028418
4-[3-(9H-carbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137028422
4-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 162663701
4-Tert-butyl-2-carbazol-9-yl-6-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 135981485
4-[3-(1-Butylindol-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol;propan-1-ol;1,1,1-trifluoropropane
CID 143554765
[4-(Trifluoromethoxy)phenyl]-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]methanone
CID 177742601
3-(1-isopropyl-1H-indol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 156494046
2-(5-(1-isopropyl-1H-indol-5-yl)-1,2,4-oxadiazol-3-yl)phenol
CID 156494334
5-(1-Benzyl-2,3-dimethylindol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19324643

Frequently Asked Questions

What is the IUPAC name of 4-[3-(9-methylcarbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-[3-(9-methylcarbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 137028421) is 4-[3-(9-methylcarbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-[3-(9-methylcarbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-[3-(9-methylcarbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol is Cn1c2ccccc2c2cc(-c3noc(-c4ccc(O)cc4)n3)ccc21.
What is the InChIKey of 4-[3-(9-methylcarbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is CQCNIUALDIQYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c1-24-18-5-3-2-4-16(18)17-12-14(8-11-19(17)24)20-22-21(26-23-20)13-6-9-15(25)10-7-13/h2-12,25H,1H3.
What are the key properties of 4-[3-(9-methylcarbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
4-[3-(9-methylcarbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 341.37 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9-methylcarbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 137028421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).