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

C10H10ClNO — CID 177441430

IUPAC5-chloro-3-propyl-1,2-benzoxazole
SMILESCCCc1noc2ccc(Cl)cc12
InChIInChI=1S/C10H10ClNO/c1-2-3-9-8-6-7(11)4-5-10(8)13-12-9/h4-6H,2-3H2,1H3
InChIKeySVKHIWMVIQZKJA-UHFFFAOYSA-N
MW195.65 g/mol
LogP3.43
Rot. Bonds2

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

5-chloro-3-propyl-1,2-benzoxazole (PubChem CID 177441430) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 5-chloro-3-propyl-1,2-benzoxazole.

Molecular Properties

Compound Name5-chloro-3-propyl-1,2-benzoxazole
PubChem CID177441430
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name5-chloro-3-propyl-1,2-benzoxazole
SMILESCCCc1noc2ccc(Cl)cc12
InChIInChI=1S/C10H10ClNO/c1-2-3-9-8-6-7(11)4-5-10(8)13-12-9/h4-6H,2-3H2,1H3
InChIKeySVKHIWMVIQZKJA-UHFFFAOYSA-N
XLogP3.43
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 88576146
CID 88576146
(5-chloro-1,2-benzoxazol-3-yl)methanamine;hydrochloride
CID 82020480
5-chloro-3-(2-piperazin-1-ylethyl)-1,2-benzoxazole
CID 39097774
2-(5-chloro-1,2-benzoxazol-3-yl)acetic acid
CID 15562921
3-(2-chloroethyl)-5-ethyl-1,2-benzoxazole
CID 39097321
1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-N,N-dimethylpentan-2-amine;hydrochloride
CID 23368417
2-[(5-chloro-1,2-benzoxazol-3-yl)sulfanyl]ethanamine;hydrochloride
CID 18696160
3-ethyl-N-methyl-1,2-benzoxazol-5-amine
CID 166648258
3-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-5-chloro-1,2-benzoxazole
CID 171691065
5-chloro-3-piperidin-4-yl-1,2-benzoxazole
CID 21471782
5-chloro-1-propan-2-yl-3-propylindazole
CID 66838271
6-chloro-2-propylquinolin-3-ol
CID 165468222

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-propyl-1,2-benzoxazole?
The IUPAC name of 5-chloro-3-propyl-1,2-benzoxazole (CID 177441430) is 5-chloro-3-propyl-1,2-benzoxazole.
What is the SMILES notation for 5-chloro-3-propyl-1,2-benzoxazole?
The canonical SMILES for 5-chloro-3-propyl-1,2-benzoxazole is CCCc1noc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-propyl-1,2-benzoxazole?
The InChIKey is SVKHIWMVIQZKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-2-3-9-8-6-7(11)4-5-10(8)13-12-9/h4-6H,2-3H2,1H3.
What are the key properties of 5-chloro-3-propyl-1,2-benzoxazole?
5-chloro-3-propyl-1,2-benzoxazole has a molecular weight of 195.65 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-propyl-1,2-benzoxazole is sourced from PubChem (CID 177441430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).