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

C20H31NO — CID 170290487

IUPAC5-decyl-2-propyl-1,3-benzoxazole
SMILESCCCCCCCCCCc1ccc2oc(CCC)nc2c1
InChIInChI=1S/C20H31NO/c1-3-5-6-7-8-9-10-11-13-17-14-15-19-18(16-17)21-20(22-19)12-4-2/h14-16H,3-13H2,1-2H3
InChIKeyLOGCYEGGVQWMHN-UHFFFAOYSA-N
MW301.47 g/mol
LogP6.46
Rot. Bonds11

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

5-decyl-2-propyl-1,3-benzoxazole (PubChem CID 170290487) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is 5-decyl-2-propyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-decyl-2-propyl-1,3-benzoxazole
PubChem CID170290487
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name5-decyl-2-propyl-1,3-benzoxazole
SMILESCCCCCCCCCCc1ccc2oc(CCC)nc2c1
InChIInChI=1S/C20H31NO/c1-3-5-6-7-8-9-10-11-13-17-14-15-19-18(16-17)21-20(22-19)12-4-2/h14-16H,3-13H2,1-2H3
InChIKeyLOGCYEGGVQWMHN-UHFFFAOYSA-N
XLogP6.46
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.47
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-hexyl-2-(4-octylphenyl)-1,3-benzoxazole
CID 19021147
2-hexyl-5-methoxy-1,3-benzoxazole
CID 11276348
2-pentyl-1,3-benzoxazole
CID 23425
5-fluoro-2-propyl-1,3-benzoxazole
CID 82229772
5-ethylsulfonyl-2-hexyl-1,3-benzoxazole
CID 68741368
2-(4-decoxyphenyl)-5-octyl-1,3-benzoxazole
CID 19021149
2-butyl-5-chloro-1,3-benzoxazole
CID 3726019
5-hexyl-1,3-benzoxazole
CID 90964458
(5-butyl-1,3-benzoxazol-2-yl)hydrazine
CID 82230351
5-propyl-1,3-benzoxazol-2-amine
CID 62548389
2-propyl-5-(trifluoromethyl)-1,3-benzoxazole
CID 82231280
(2-propyl-1,3-benzoxazol-6-yl)methanol
CID 82357761

Frequently Asked Questions

What is the IUPAC name of 5-decyl-2-propyl-1,3-benzoxazole?
The IUPAC name of 5-decyl-2-propyl-1,3-benzoxazole (CID 170290487) is 5-decyl-2-propyl-1,3-benzoxazole.
What is the SMILES notation for 5-decyl-2-propyl-1,3-benzoxazole?
The canonical SMILES for 5-decyl-2-propyl-1,3-benzoxazole is CCCCCCCCCCc1ccc2oc(CCC)nc2c1.
What is the InChIKey of 5-decyl-2-propyl-1,3-benzoxazole?
The InChIKey is LOGCYEGGVQWMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-3-5-6-7-8-9-10-11-13-17-14-15-19-18(16-17)21-20(22-19)12-4-2/h14-16H,3-13H2,1-2H3.
What are the key properties of 5-decyl-2-propyl-1,3-benzoxazole?
5-decyl-2-propyl-1,3-benzoxazole has a molecular weight of 301.47 g/mol, XLogP of 6.46, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decyl-2-propyl-1,3-benzoxazole is sourced from PubChem (CID 170290487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).