2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide

C14H8Cl2N2O2 — CID 167448203

IUPAC2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide
SMILESNC(=O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1
InChIInChI=1S/C14H8Cl2N2O2/c15-9-3-8(4-10(16)6-9)14-18-11-2-1-7(13(17)19)5-12(11)20-14/h1-6H,(H2,17,19)
InChIKeyGTTKSRXSBFLZFD-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.90
Rot. Bonds2

About 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide

2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 167448203) has the molecular formula C14H8Cl2N2O2 and a molecular weight of 307.14 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide
PubChem CID167448203
Molecular FormulaC14H8Cl2N2O2
Molecular Weight307.14 g/mol
Exact Mass306.00
IUPAC Name2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide
SMILESNC(=O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1
InChIInChI=1S/C14H8Cl2N2O2/c15-9-3-8(4-10(16)6-9)14-18-11-2-1-7(13(17)19)5-12(11)20-14/h1-6H,(H2,17,19)
InChIKeyGTTKSRXSBFLZFD-UHFFFAOYSA-N
XLogP3.90
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-aminopropyl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate;hydrochloride
CID 156813816
[2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 167448268
2-(2-hydroxyethoxy)ethyl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate
CID 172990334
2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide
CID 67331843
3-(dimethylamino)propyl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate
CID 156813877
2-(diethylamino)ethyl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate
CID 156813790
2-(diethylamino)ethyl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate;hydrochloride
CID 156813802
2-(4-bromo-3,5-dichlorophenyl)-1,3-benzoxazole-5-carboxamide
CID 50849580
3-(6-amino-1,3-benzoxazol-2-yl)benzamide
CID 95911825
3-pyridin-1-ium-1-ylpropyl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate
CID 156813960
3-[2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carbonyl]oxypropyl-triphenylphosphanium
CID 156813921
3-(1,3-benzoxazol-2-yl)benzamide
CID 21105138

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide (CID 167448203) is 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide is NC(=O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is GTTKSRXSBFLZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2/c15-9-3-8(4-10(16)6-9)14-18-11-2-1-7(13(17)19)5-12(11)20-14/h1-6H,(H2,17,19).
What are the key properties of 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide?
2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 307.14 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 167448203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).