6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole

C18H16N2O2 — CID 656381

IUPAC6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
SMILESCc1ccc2nc(CCc3nc4ccc(C)cc4o3)oc2c1
InChIInChI=1S/C18H16N2O2/c1-11-3-5-13-15(9-11)21-17(19-13)7-8-18-20-14-6-4-12(2)10-16(14)22-18/h3-6,9-10H,7-8H2,1-2H3
InChIKeyGTZBYNVHHSMIQJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.37
Rot. Bonds3

About 6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole

6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole (PubChem CID 656381) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
PubChem CID656381
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
SMILESCc1ccc2nc(CCc3nc4ccc(C)cc4o3)oc2c1
InChIInChI=1S/C18H16N2O2/c1-11-3-5-13-15(9-11)21-17(19-13)7-8-18-20-14-6-4-12(2)10-16(14)22-18/h3-6,9-10H,7-8H2,1-2H3
InChIKeyGTZBYNVHHSMIQJ-UHFFFAOYSA-N
XLogP4.37
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methyl-1,3-benzoxazol-2-yl)methanol
CID 83383747
N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropanamine
CID 60837123
2-methyl-N-[(6-methyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine
CID 79269519
2-methyl-N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]aniline
CID 60837443
6-methyl-2-(2-pyrrolidin-2-ylethyl)-1,3-benzoxazole
CID 83859342
2-[(2,6-dichlorophenyl)methyl]-6-methyl-1,3-benzoxazole
CID 91756521
6-methyl-1,3-benzoxazol-2-amine
CID 45079000
2-chloro-6-methyl-1,3-benzoxazole
CID 10678666
6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 83859316
2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)butan-2-amine
CID 62048509
2-[(4-methylphenyl)methyl]-1,3-benzoxazol-6-amine
CID 43152427
N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline
CID 102696512

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole?
The IUPAC name of 6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole (CID 656381) is 6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole.
What is the SMILES notation for 6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole?
The canonical SMILES for 6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole is Cc1ccc2nc(CCc3nc4ccc(C)cc4o3)oc2c1.
What is the InChIKey of 6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole?
The InChIKey is GTZBYNVHHSMIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-11-3-5-13-15(9-11)21-17(19-13)7-8-18-20-14-6-4-12(2)10-16(14)22-18/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole?
6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole has a molecular weight of 292.34 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole is sourced from PubChem (CID 656381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).