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

C13H17NO — CID 126625095

IUPAC4,6-di(propan-2-yl)-1,3-benzoxazole
SMILESCC(C)c1cc(C(C)C)c2ncoc2c1
InChIInChI=1S/C13H17NO/c1-8(2)10-5-11(9(3)4)13-12(6-10)15-7-14-13/h5-9H,1-4H3
InChIKeyCFUUOGVGDSFYOW-UHFFFAOYSA-N
MW203.28 g/mol
LogP4.07
Rot. Bonds2

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

4,6-di(propan-2-yl)-1,3-benzoxazole (PubChem CID 126625095) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 4,6-di(propan-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name4,6-di(propan-2-yl)-1,3-benzoxazole
PubChem CID126625095
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name4,6-di(propan-2-yl)-1,3-benzoxazole
SMILESCC(C)c1cc(C(C)C)c2ncoc2c1
InChIInChI=1S/C13H17NO/c1-8(2)10-5-11(9(3)4)13-12(6-10)15-7-14-13/h5-9H,1-4H3
InChIKeyCFUUOGVGDSFYOW-UHFFFAOYSA-N
XLogP4.07
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-propan-2-yl-1,3-benzoxazole
CID 137430290
6-propan-2-yl-1,3-benzoxazole
CID 21354846
azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
4,6-dimethyl-1,3-benzoxazole
CID 19990338
4-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine
CID 122697307
[2,4,6-tri(propan-2-yl)phenyl]phosphane
CID 609106
[2,4,6-tri(propan-2-yl)phenyl]borane
CID 14976181
6,8-di(propan-2-yl)-3,4-dihydrochromen-2-one
CID 154096528
CID 101233862
CID 101233862
bis[2,4,6-tri(propan-2-yl)phenyl]germane
CID 71343686
N,N-dimethyl-6,8-di(propan-2-yl)quinolin-2-amine
CID 177282930
5,7-di(propan-2-yl)-1-benzofuran
CID 58779354

Frequently Asked Questions

What is the IUPAC name of 4,6-di(propan-2-yl)-1,3-benzoxazole?
The IUPAC name of 4,6-di(propan-2-yl)-1,3-benzoxazole (CID 126625095) is 4,6-di(propan-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 4,6-di(propan-2-yl)-1,3-benzoxazole?
The canonical SMILES for 4,6-di(propan-2-yl)-1,3-benzoxazole is CC(C)c1cc(C(C)C)c2ncoc2c1.
What is the InChIKey of 4,6-di(propan-2-yl)-1,3-benzoxazole?
The InChIKey is CFUUOGVGDSFYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-8(2)10-5-11(9(3)4)13-12(6-10)15-7-14-13/h5-9H,1-4H3.
What are the key properties of 4,6-di(propan-2-yl)-1,3-benzoxazole?
4,6-di(propan-2-yl)-1,3-benzoxazole has a molecular weight of 203.28 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(propan-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 126625095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).