2,5-dimethyl-1,3-benzoxazole;ethane;1-ethyl-4-propan-2-ylbenzene

C22H31NO — CID 170641256

IUPAC2,5-dimethyl-1,3-benzoxazole;ethane;1-ethyl-4-propan-2-ylbenzene
SMILESCC.CCc1ccc(C(C)C)cc1.Cc1ccc2oc(C)nc2c1
InChIInChI=1S/C11H16.C9H9NO.C2H6/c1-4-10-5-7-11(8-6-10)9(2)3;1-6-3-4-9-8(5-6)10-7(2)11-9;1-2/h5-9H,4H2,1-3H3;3-5H,1-2H3;1-2H3
InChIKeyLANSVCSYBLBHJV-UHFFFAOYSA-N
MW325.50 g/mol
LogP6.84
Rot. Bonds2

About 2,5-dimethyl-1,3-benzoxazole;ethane;1-ethyl-4-propan-2-ylbenzene

2,5-dimethyl-1,3-benzoxazole;ethane;1-ethyl-4-propan-2-ylbenzene (PubChem CID 170641256) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-benzoxazole;ethane;1-ethyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2,5-dimethyl-1,3-benzoxazole;ethane;1-ethyl-4-propan-2-ylbenzene
PubChem CID170641256
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Name2,5-dimethyl-1,3-benzoxazole;ethane;1-ethyl-4-propan-2-ylbenzene
SMILESCC.CCc1ccc(C(C)C)cc1.Cc1ccc2oc(C)nc2c1
InChIInChI=1S/C11H16.C9H9NO.C2H6/c1-4-10-5-7-11(8-6-10)9(2)3;1-6-3-4-9-8(5-6)10-7(2)11-9;1-2/h5-9H,4H2,1-3H3;3-5H,1-2H3;1-2H3
InChIKeyLANSVCSYBLBHJV-UHFFFAOYSA-N
XLogP6.84
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 43110726
2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane
CID 143414521
carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole
CID 162219580
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
N-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine
CID 24759786
amino-(2-methyl-1,3-benzoxazol-5-yl)methanethiol
CID 116939524
amino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116939676
(4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723460
ethane;1-ethyl-4-(4-propan-2-ylphenyl)benzene
CID 143715376
1-(5-methyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 60918146
2,6-dimethyl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 20610489
5-ethyl-N,N-dimethyl-1,3-benzoxazol-2-amine
CID 170202374

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3-benzoxazole;ethane;1-ethyl-4-propan-2-ylbenzene?
The IUPAC name of 2,5-dimethyl-1,3-benzoxazole;ethane;1-ethyl-4-propan-2-ylbenzene (CID 170641256) is 2,5-dimethyl-1,3-benzoxazole;ethane;1-ethyl-4-propan-2-ylbenzene.
What is the SMILES notation for 2,5-dimethyl-1,3-benzoxazole;ethane;1-ethyl-4-propan-2-ylbenzene?
The canonical SMILES for 2,5-dimethyl-1,3-benzoxazole;ethane;1-ethyl-4-propan-2-ylbenzene is CC.CCc1ccc(C(C)C)cc1.Cc1ccc2oc(C)nc2c1.
What is the InChIKey of 2,5-dimethyl-1,3-benzoxazole;ethane;1-ethyl-4-propan-2-ylbenzene?
The InChIKey is LANSVCSYBLBHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C9H9NO.C2H6/c1-4-10-5-7-11(8-6-10)9(2)3;1-6-3-4-9-8(5-6)10-7(2)11-9;1-2/h5-9H,4H2,1-3H3;3-5H,1-2H3;1-2H3.
What are the key properties of 2,5-dimethyl-1,3-benzoxazole;ethane;1-ethyl-4-propan-2-ylbenzene?
2,5-dimethyl-1,3-benzoxazole;ethane;1-ethyl-4-propan-2-ylbenzene has a molecular weight of 325.50 g/mol, XLogP of 6.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3-benzoxazole;ethane;1-ethyl-4-propan-2-ylbenzene is sourced from PubChem (CID 170641256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).