2-butyl-5-chloro-1,3-benzoxazole

C11H12ClNO — CID 3726019

IUPAC2-butyl-5-chloro-1,3-benzoxazole
SMILESCCCCc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C11H12ClNO/c1-2-3-4-11-13-9-7-8(12)5-6-10(9)14-11/h5-7H,2-4H2,1H3
InChIKeyNIFBGGGUYHSOQU-UHFFFAOYSA-N
MW209.68 g/mol
LogP3.82
Rot. Bonds3

About 2-butyl-5-chloro-1,3-benzoxazole

2-butyl-5-chloro-1,3-benzoxazole (PubChem CID 3726019) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-butyl-5-chloro-1,3-benzoxazole.

Molecular Properties

Compound Name2-butyl-5-chloro-1,3-benzoxazole
PubChem CID3726019
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name2-butyl-5-chloro-1,3-benzoxazole
SMILESCCCCc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C11H12ClNO/c1-2-3-4-11-13-9-7-8(12)5-6-10(9)14-11/h5-7H,2-4H2,1H3
InChIKeyNIFBGGGUYHSOQU-UHFFFAOYSA-N
XLogP3.82
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
5-chloro-2-dec-9-enyl-1,3-benzoxazole
CID 25187211
2-butyl-1,3-benzoxazole-5-carboxylic acid
CID 2763366
2-butyl-5-pyrrolidin-1-yl-1,3-benzoxazole
CID 168514211
7-chloro-2-undecyl-3,1-benzoxazin-4-one
CID 606775
N-(4-butylphenyl)-5-chloro-1,3-benzoxazol-2-amine
CID 2108047
2-hexyl-5-methoxy-1,3-benzoxazole
CID 11276348
2-butyl-5-(furan-2-yl)-1,3-benzoxazole
CID 168526990
N-(2-butyl-1,3-benzoxazol-5-yl)methanesulfonamide
CID 22973776
5-decyl-2-propyl-1,3-benzoxazole
CID 170290487
2-pentyl-1,3-benzoxazole
CID 23425

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-chloro-1,3-benzoxazole?
The IUPAC name of 2-butyl-5-chloro-1,3-benzoxazole (CID 3726019) is 2-butyl-5-chloro-1,3-benzoxazole.
What is the SMILES notation for 2-butyl-5-chloro-1,3-benzoxazole?
The canonical SMILES for 2-butyl-5-chloro-1,3-benzoxazole is CCCCc1nc2cc(Cl)ccc2o1.
What is the InChIKey of 2-butyl-5-chloro-1,3-benzoxazole?
The InChIKey is NIFBGGGUYHSOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-2-3-4-11-13-9-7-8(12)5-6-10(9)14-11/h5-7H,2-4H2,1H3.
What are the key properties of 2-butyl-5-chloro-1,3-benzoxazole?
2-butyl-5-chloro-1,3-benzoxazole has a molecular weight of 209.68 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-chloro-1,3-benzoxazole is sourced from PubChem (CID 3726019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).