4-butyl-2-ethyl-1,3-benzoxazole

C13H17NO — CID 174743684

IUPAC4-butyl-2-ethyl-1,3-benzoxazole
SMILESCCCCc1cccc2oc(CC)nc12
InChIInChI=1S/C13H17NO/c1-3-5-7-10-8-6-9-11-13(10)14-12(4-2)15-11/h6,8-9H,3-5,7H2,1-2H3
InChIKeyHEMFVKUUOGPMEQ-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.73
Rot. Bonds4

About 4-butyl-2-ethyl-1,3-benzoxazole

4-butyl-2-ethyl-1,3-benzoxazole (PubChem CID 174743684) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-butyl-2-ethyl-1,3-benzoxazole.

Molecular Properties

Compound Name4-butyl-2-ethyl-1,3-benzoxazole
PubChem CID174743684
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name4-butyl-2-ethyl-1,3-benzoxazole
SMILESCCCCc1cccc2oc(CC)nc12
InChIInChI=1S/C13H17NO/c1-3-5-7-10-8-6-9-11-13(10)14-12(4-2)15-11/h6,8-9H,3-5,7H2,1-2H3
InChIKeyHEMFVKUUOGPMEQ-UHFFFAOYSA-N
XLogP3.73
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-4-isocyanato-1,3-benzoxazole
CID 169354350
2-(4-ethyl-1,3-benzoxazol-2-yl)acetonitrile
CID 130784394
2-ethyl-1,3-benzoxazole-4-carbonitrile
CID 130769344
4-azido-2-butyl-1,3-benzoxazole
CID 169325793
3-(2-methyl-1,3-benzoxazol-4-yl)propan-1-ol
CID 117282271
7-butyl-2,1-benzoxazole
CID 67428244
4-ethenyl-2-pentyl-1,3-benzoxazole
CID 174821768
2-(2-methyl-1,3-benzoxazol-4-yl)ethanesulfonyl chloride
CID 84709935
methyl 2-ethyl-1,3-benzoxazole-4-carboxylate
CID 59625681
2-bromo-1-(2-ethyl-1,3-benzoxazol-4-yl)ethanone
CID 131465085
4-hexyl-1,3-benzoxazole
CID 91584935
2-(3-chloropropyl)-4-methyl-1,3-benzoxazole
CID 61037198

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-ethyl-1,3-benzoxazole?
The IUPAC name of 4-butyl-2-ethyl-1,3-benzoxazole (CID 174743684) is 4-butyl-2-ethyl-1,3-benzoxazole.
What is the SMILES notation for 4-butyl-2-ethyl-1,3-benzoxazole?
The canonical SMILES for 4-butyl-2-ethyl-1,3-benzoxazole is CCCCc1cccc2oc(CC)nc12.
What is the InChIKey of 4-butyl-2-ethyl-1,3-benzoxazole?
The InChIKey is HEMFVKUUOGPMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-5-7-10-8-6-9-11-13(10)14-12(4-2)15-11/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of 4-butyl-2-ethyl-1,3-benzoxazole?
4-butyl-2-ethyl-1,3-benzoxazole has a molecular weight of 203.28 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-ethyl-1,3-benzoxazole is sourced from PubChem (CID 174743684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).