2,4-dimethyl-5,6-di(propan-2-yl)-4,5-dihydro-1,3-benzoxazole

C15H23NO — CID 176693929

IUPAC2,4-dimethyl-5,6-di(propan-2-yl)-4,5-dihydro-1,3-benzoxazole
SMILESCc1nc2c(o1)C=C(C(C)C)C(C(C)C)C2C
InChIInChI=1S/C15H23NO/c1-8(2)12-7-13-15(16-11(6)17-13)10(5)14(12)9(3)4/h7-10,14H,1-6H3
InChIKeyMDKTYLLEVRMKLB-UHFFFAOYSA-N
MW233.35 g/mol
LogP4.41
Rot. Bonds2

About 2,4-dimethyl-5,6-di(propan-2-yl)-4,5-dihydro-1,3-benzoxazole

2,4-dimethyl-5,6-di(propan-2-yl)-4,5-dihydro-1,3-benzoxazole (PubChem CID 176693929) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2,4-dimethyl-5,6-di(propan-2-yl)-4,5-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name2,4-dimethyl-5,6-di(propan-2-yl)-4,5-dihydro-1,3-benzoxazole
PubChem CID176693929
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2,4-dimethyl-5,6-di(propan-2-yl)-4,5-dihydro-1,3-benzoxazole
SMILESCc1nc2c(o1)C=C(C(C)C)C(C(C)C)C2C
InChIInChI=1S/C15H23NO/c1-8(2)12-7-13-15(16-11(6)17-13)10(5)14(12)9(3)4/h7-10,14H,1-6H3
InChIKeyMDKTYLLEVRMKLB-UHFFFAOYSA-N
XLogP4.41
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5,6-di(propan-2-yl)-4,5-dihydro-1,3-benzoxazole?
The IUPAC name of 2,4-dimethyl-5,6-di(propan-2-yl)-4,5-dihydro-1,3-benzoxazole (CID 176693929) is 2,4-dimethyl-5,6-di(propan-2-yl)-4,5-dihydro-1,3-benzoxazole.
What is the SMILES notation for 2,4-dimethyl-5,6-di(propan-2-yl)-4,5-dihydro-1,3-benzoxazole?
The canonical SMILES for 2,4-dimethyl-5,6-di(propan-2-yl)-4,5-dihydro-1,3-benzoxazole is Cc1nc2c(o1)C=C(C(C)C)C(C(C)C)C2C.
What is the InChIKey of 2,4-dimethyl-5,6-di(propan-2-yl)-4,5-dihydro-1,3-benzoxazole?
The InChIKey is MDKTYLLEVRMKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-8(2)12-7-13-15(16-11(6)17-13)10(5)14(12)9(3)4/h7-10,14H,1-6H3.
What are the key properties of 2,4-dimethyl-5,6-di(propan-2-yl)-4,5-dihydro-1,3-benzoxazole?
2,4-dimethyl-5,6-di(propan-2-yl)-4,5-dihydro-1,3-benzoxazole has a molecular weight of 233.35 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5,6-di(propan-2-yl)-4,5-dihydro-1,3-benzoxazole is sourced from PubChem (CID 176693929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).