5-chloro-2-dec-9-enyl-1,3-benzoxazole

C17H22ClNO — CID 25187211

IUPAC5-chloro-2-dec-9-enyl-1,3-benzoxazole
SMILESC=CCCCCCCCCc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C17H22ClNO/c1-2-3-4-5-6-7-8-9-10-17-19-15-13-14(18)11-12-16(15)20-17/h2,11-13H,1,3-10H2
InChIKeyDWTYMHNXOXBELT-UHFFFAOYSA-N
MW291.82 g/mol
LogP5.94
Rot. Bonds9

About 5-chloro-2-dec-9-enyl-1,3-benzoxazole

5-chloro-2-dec-9-enyl-1,3-benzoxazole (PubChem CID 25187211) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 5-chloro-2-dec-9-enyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-dec-9-enyl-1,3-benzoxazole
PubChem CID25187211
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name5-chloro-2-dec-9-enyl-1,3-benzoxazole
SMILESC=CCCCCCCCCc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C17H22ClNO/c1-2-3-4-5-6-7-8-9-10-17-19-15-13-14(18)11-12-16(15)20-17/h2,11-13H,1,3-10H2
InChIKeyDWTYMHNXOXBELT-UHFFFAOYSA-N
XLogP5.94
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.82
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-5-chloro-1,3-benzoxazole
CID 3726019
5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
CID 827452
4-(5-chloro-1,3-benzoxazol-2-yl)butanoic acid
CID 28930919
7-chloro-2-undecyl-3,1-benzoxazin-4-one
CID 606775
5-chloro-2-(cyclohexylmethyl)-1,3-benzoxazole
CID 10538608
3-(5,6-dichloro-1,3-benzoxazol-2-yl)propan-1-amine
CID 82232079
2-hexyl-5-methoxy-1,3-benzoxazole
CID 11276348
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
5-decyl-2-propyl-1,3-benzoxazole
CID 170290487
5-ethylsulfonyl-2-hexyl-1,3-benzoxazole
CID 68741368
2,4-dichloro-1-oct-7-enylbenzene;methylsulfinylmethane
CID 67875252
5-phenyl-2-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 91675035

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-dec-9-enyl-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-dec-9-enyl-1,3-benzoxazole (CID 25187211) is 5-chloro-2-dec-9-enyl-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-dec-9-enyl-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-dec-9-enyl-1,3-benzoxazole is C=CCCCCCCCCc1nc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-2-dec-9-enyl-1,3-benzoxazole?
The InChIKey is DWTYMHNXOXBELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-2-3-4-5-6-7-8-9-10-17-19-15-13-14(18)11-12-16(15)20-17/h2,11-13H,1,3-10H2.
What are the key properties of 5-chloro-2-dec-9-enyl-1,3-benzoxazole?
5-chloro-2-dec-9-enyl-1,3-benzoxazole has a molecular weight of 291.82 g/mol, XLogP of 5.94, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-dec-9-enyl-1,3-benzoxazole is sourced from PubChem (CID 25187211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).