2-(3-chlorocarbazol-9-yl)-1,3-benzoxazole

C19H11ClN2O — CID 146370377

IUPAC2-(3-chlorocarbazol-9-yl)-1,3-benzoxazole
SMILESClc1ccc2c(c1)c1ccccc1n2-c1nc2ccccc2o1
InChIInChI=1S/C19H11ClN2O/c20-12-9-10-17-14(11-12)13-5-1-3-7-16(13)22(17)19-21-15-6-2-4-8-18(15)23-19/h1-11H
InChIKeyIZNOWPYTOKINHX-UHFFFAOYSA-N
MW318.76 g/mol
LogP5.58
Rot. Bonds1

About 2-(3-chlorocarbazol-9-yl)-1,3-benzoxazole

2-(3-chlorocarbazol-9-yl)-1,3-benzoxazole (PubChem CID 146370377) has the molecular formula C19H11ClN2O and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-(3-chlorocarbazol-9-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3-chlorocarbazol-9-yl)-1,3-benzoxazole
PubChem CID146370377
Molecular FormulaC19H11ClN2O
Molecular Weight318.76 g/mol
Exact Mass318.06
IUPAC Name2-(3-chlorocarbazol-9-yl)-1,3-benzoxazole
SMILESClc1ccc2c(c1)c1ccccc1n2-c1nc2ccccc2o1
InChIInChI=1S/C19H11ClN2O/c20-12-9-10-17-14(11-12)13-5-1-3-7-16(13)22(17)19-21-15-6-2-4-8-18(15)23-19/h1-11H
InChIKeyIZNOWPYTOKINHX-UHFFFAOYSA-N
XLogP5.58
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.76
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]carbazol-9-yl]-1,3-benzoxazole
CID 177074713
2-(22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-12-yl)-1,3-benzoxazole
CID 118502072
2-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole
CID 118503047
14-(1,3-benzoxazol-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118502678
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-benzoxazole
CID 118502310
2-carbazol-9-yl-6-[4-[9-(6-chloro-1,3-benzoxazol-2-yl)carbazol-3-yl]-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl]-1,3-benzoxazole
CID 174061238
2-[3-(4-methylphenyl)-6-(2,4,6-trimethylphenyl)carbazol-9-yl]-1,3-benzoxazole
CID 71182016
12-(1,3-benzoxazol-2-yl)-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118502783
1-(1,3-benzoxazol-2-yl)quinazoline-2,4-dione
CID 175983951
2-[6,9-bis(1,3-benzoxazol-2-yl)carbazol-3-yl]-6-(4-phenylphenyl)-1,3-benzoxazole
CID 155366238
3-(1,3-benzoxazol-2-yl)-1,3-benzoxazole-2-thione
CID 4206564
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorocarbazol-9-yl)-1,3-benzoxazole?
The IUPAC name of 2-(3-chlorocarbazol-9-yl)-1,3-benzoxazole (CID 146370377) is 2-(3-chlorocarbazol-9-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(3-chlorocarbazol-9-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(3-chlorocarbazol-9-yl)-1,3-benzoxazole is Clc1ccc2c(c1)c1ccccc1n2-c1nc2ccccc2o1.
What is the InChIKey of 2-(3-chlorocarbazol-9-yl)-1,3-benzoxazole?
The InChIKey is IZNOWPYTOKINHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN2O/c20-12-9-10-17-14(11-12)13-5-1-3-7-16(13)22(17)19-21-15-6-2-4-8-18(15)23-19/h1-11H.
What are the key properties of 2-(3-chlorocarbazol-9-yl)-1,3-benzoxazole?
2-(3-chlorocarbazol-9-yl)-1,3-benzoxazole has a molecular weight of 318.76 g/mol, XLogP of 5.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorocarbazol-9-yl)-1,3-benzoxazole is sourced from PubChem (CID 146370377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).