2-(2,4-dichlorophenyl)-N-ethyl-1,3-benzoxazol-5-amine

C15H12Cl2N2O — CID 91677608

IUPAC2-(2,4-dichlorophenyl)-N-ethyl-1,3-benzoxazol-5-amine
SMILESCCNc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1
InChIInChI=1S/C15H12Cl2N2O/c1-2-18-10-4-6-14-13(8-10)19-15(20-14)11-5-3-9(16)7-12(11)17/h3-8,18H,2H2,1H3
InChIKeyOQZNBWFHCGCNHM-UHFFFAOYSA-N
MW307.18 g/mol
LogP5.23
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-N-ethyl-1,3-benzoxazol-5-amine

2-(2,4-dichlorophenyl)-N-ethyl-1,3-benzoxazol-5-amine (PubChem CID 91677608) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-ethyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-ethyl-1,3-benzoxazol-5-amine
PubChem CID91677608
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name2-(2,4-dichlorophenyl)-N-ethyl-1,3-benzoxazol-5-amine
SMILESCCNc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1
InChIInChI=1S/C15H12Cl2N2O/c1-2-18-10-4-6-14-13(8-10)19-15(20-14)11-5-3-9(16)7-12(11)17/h3-8,18H,2H2,1H3
InChIKeyOQZNBWFHCGCNHM-UHFFFAOYSA-N
XLogP5.23
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.18
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 880527
2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide
CID 2294657
5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole
CID 95911053
N-ethyl-2-(4-iodophenyl)-1,3-benzoxazol-5-amine
CID 91682505
2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide
CID 23739200
N-ethyl-2-methyl-1,3-benzoxazol-5-amine
CID 28676121
2-(2,4-dichlorophenyl)-1,3-benzoxazole-5-carbonyl chloride
CID 91681335
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 1049602
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]propanamide
CID 875923
2-(2,4-dichlorophenyl)-5-pyrrol-1-yl-1,3-benzoxazole
CID 91674929
2-(2,4-dichlorophenyl)-5-pyrrolidin-1-yl-1,3-benzoxazole
CID 168514462
(E)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17318879

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-ethyl-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-ethyl-1,3-benzoxazol-5-amine (CID 91677608) is 2-(2,4-dichlorophenyl)-N-ethyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-ethyl-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-ethyl-1,3-benzoxazol-5-amine is CCNc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-ethyl-1,3-benzoxazol-5-amine?
The InChIKey is OQZNBWFHCGCNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c1-2-18-10-4-6-14-13(8-10)19-15(20-14)11-5-3-9(16)7-12(11)17/h3-8,18H,2H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-N-ethyl-1,3-benzoxazol-5-amine?
2-(2,4-dichlorophenyl)-N-ethyl-1,3-benzoxazol-5-amine has a molecular weight of 307.18 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-ethyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 91677608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).