5-(chloromethyl)-2-ethoxy-1,3-benzoxazole

C10H10ClNO2 — CID 130895736

IUPAC5-(chloromethyl)-2-ethoxy-1,3-benzoxazole
SMILESCCOc1nc2cc(CCl)ccc2o1
InChIInChI=1S/C10H10ClNO2/c1-2-13-10-12-8-5-7(6-11)3-4-9(8)14-10/h3-5H,2,6H2,1H3
InChIKeyKIYZUNVRSAYZMT-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.97
Rot. Bonds3

About 5-(chloromethyl)-2-ethoxy-1,3-benzoxazole

5-(chloromethyl)-2-ethoxy-1,3-benzoxazole (PubChem CID 130895736) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 5-(chloromethyl)-2-ethoxy-1,3-benzoxazole.

Molecular Properties

Compound Name5-(chloromethyl)-2-ethoxy-1,3-benzoxazole
PubChem CID130895736
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name5-(chloromethyl)-2-ethoxy-1,3-benzoxazole
SMILESCCOc1nc2cc(CCl)ccc2o1
InChIInChI=1S/C10H10ClNO2/c1-2-13-10-12-8-5-7(6-11)3-4-9(8)14-10/h3-5H,2,6H2,1H3
InChIKeyKIYZUNVRSAYZMT-UHFFFAOYSA-N
XLogP2.97
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-5-methylsulfanyl-1,3-benzoxazole
CID 130894860
2-ethoxy-1,3-benzoxazole-6-thiol
CID 131090717
5-(chloromethyl)-1,3-benzoxazole-2-carbonitrile
CID 131057727
5-(chloromethyl)-2-(difluoromethyl)-1,3-benzoxazole
CID 130863160
5-(chloromethyl)-1,3-benzoxazole-2-carboxylic acid
CID 130786897
7-(chloromethyl)-2-ethoxy-1,3-benzoxazole
CID 130849135
2-ethoxy-6-methoxy-1,3-benzoxazole
CID 130837090
4-(chloromethyl)-1,2-diethoxybenzene
CID 2434831
2-methoxy-5-(2-methylpropyl)-1,3-benzoxazole
CID 59731320
4-(chloromethyl)-2-ethoxy-1,3-benzoxazole
CID 130840585
2-[[4-(chloromethyl)phenyl]methyl]-5-methyl-1,3-benzoxazole
CID 142008394
5-ethoxy-2-[(5-ethoxy-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
CID 23468058

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-ethoxy-1,3-benzoxazole?
The IUPAC name of 5-(chloromethyl)-2-ethoxy-1,3-benzoxazole (CID 130895736) is 5-(chloromethyl)-2-ethoxy-1,3-benzoxazole.
What is the SMILES notation for 5-(chloromethyl)-2-ethoxy-1,3-benzoxazole?
The canonical SMILES for 5-(chloromethyl)-2-ethoxy-1,3-benzoxazole is CCOc1nc2cc(CCl)ccc2o1.
What is the InChIKey of 5-(chloromethyl)-2-ethoxy-1,3-benzoxazole?
The InChIKey is KIYZUNVRSAYZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-2-13-10-12-8-5-7(6-11)3-4-9(8)14-10/h3-5H,2,6H2,1H3.
What are the key properties of 5-(chloromethyl)-2-ethoxy-1,3-benzoxazole?
5-(chloromethyl)-2-ethoxy-1,3-benzoxazole has a molecular weight of 211.65 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-ethoxy-1,3-benzoxazole is sourced from PubChem (CID 130895736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).