6,7-dichloro-2-(2-methoxyethyl)-1,3-benzoxazol-5-amine

C10H10Cl2N2O2 — CID 82232999

IUPAC6,7-dichloro-2-(2-methoxyethyl)-1,3-benzoxazol-5-amine
SMILESCOCCc1nc2cc(N)c(Cl)c(Cl)c2o1
InChIInChI=1S/C10H10Cl2N2O2/c1-15-3-2-7-14-6-4-5(13)8(11)9(12)10(6)16-7/h4H,2-3,13H2,1H3
InChIKeyRRZATLONAWUGMX-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.91
Rot. Bonds3

About 6,7-dichloro-2-(2-methoxyethyl)-1,3-benzoxazol-5-amine

6,7-dichloro-2-(2-methoxyethyl)-1,3-benzoxazol-5-amine (PubChem CID 82232999) has the molecular formula C10H10Cl2N2O2 and a molecular weight of 261.11 g/mol. Its IUPAC name is 6,7-dichloro-2-(2-methoxyethyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name6,7-dichloro-2-(2-methoxyethyl)-1,3-benzoxazol-5-amine
PubChem CID82232999
Molecular FormulaC10H10Cl2N2O2
Molecular Weight261.11 g/mol
Exact Mass260.01
IUPAC Name6,7-dichloro-2-(2-methoxyethyl)-1,3-benzoxazol-5-amine
SMILESCOCCc1nc2cc(N)c(Cl)c(Cl)c2o1
InChIInChI=1S/C10H10Cl2N2O2/c1-15-3-2-7-14-6-4-5(13)8(11)9(12)10(6)16-7/h4H,2-3,13H2,1H3
InChIKeyRRZATLONAWUGMX-UHFFFAOYSA-N
XLogP2.91
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-7-tert-butyl-2-(2-methoxyethyl)-1,3-benzoxazole
CID 82234385
2-(methoxymethyl)-7-methyl-1,3-benzoxazol-5-amine
CID 91679204
4,6-dichloro-2-(2-methoxyethyl)-1,3-benzoxazole
CID 82232169
7-methyl-2-propyl-1,3-benzoxazol-5-amine
CID 82229883
2-[2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethyl]aniline
CID 107676050
N-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-2-methoxyethanamine
CID 81432937
5-bromo-2-butyl-1,3-benzoxazol-7-amine
CID 104728838
5-butyl-2-propyl-1,3-benzoxazol-7-amine
CID 94977224
2-[(5-amino-7-methyl-1,3-benzoxazol-2-yl)methyl]-7-methyl-1,3-benzoxazol-5-amine
CID 91675154
(5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine
CID 79001891
5-(2-methoxyethyl)-1,2,4-oxadiazol-3-amine
CID 63692228
6,7-dichloro-1,3-benzoxazol-5-amine
CID 82230206

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-(2-methoxyethyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 6,7-dichloro-2-(2-methoxyethyl)-1,3-benzoxazol-5-amine (CID 82232999) is 6,7-dichloro-2-(2-methoxyethyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 6,7-dichloro-2-(2-methoxyethyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 6,7-dichloro-2-(2-methoxyethyl)-1,3-benzoxazol-5-amine is COCCc1nc2cc(N)c(Cl)c(Cl)c2o1.
What is the InChIKey of 6,7-dichloro-2-(2-methoxyethyl)-1,3-benzoxazol-5-amine?
The InChIKey is RRZATLONAWUGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2/c1-15-3-2-7-14-6-4-5(13)8(11)9(12)10(6)16-7/h4H,2-3,13H2,1H3.
What are the key properties of 6,7-dichloro-2-(2-methoxyethyl)-1,3-benzoxazol-5-amine?
6,7-dichloro-2-(2-methoxyethyl)-1,3-benzoxazol-5-amine has a molecular weight of 261.11 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-(2-methoxyethyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 82232999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).