2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one

C14H17NO2 — CID 82289176

IUPAC2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one
SMILESCC(C)C(=O)c1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C14H17NO2/c1-8(2)13(16)10-5-6-12-11(7-10)15-14(17-12)9(3)4/h5-9H,1-4H3
InChIKeyVLUMIDGOPMFXOD-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.79
Rot. Bonds3

About 2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one

2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one (PubChem CID 82289176) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one
PubChem CID82289176
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one
SMILESCC(C)C(=O)c1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C14H17NO2/c1-8(2)13(16)10-5-6-12-11(7-10)15-14(17-12)9(3)4/h5-9H,1-4H3
InChIKeyVLUMIDGOPMFXOD-UHFFFAOYSA-N
XLogP3.79
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethyl-1,3-benzoxazol-5-yl)-2-methylpropan-1-one
CID 82285124
1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-methylpropan-1-one
CID 82294745
2-methyl-1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]propan-1-one
CID 82294744
2-(1-hydroxyethyl)-1,3-benzoxazole-5-carboxylic acid
CID 81358691
2-propan-2-yl-1,3-benzoxazole-5-thiol
CID 138604621
5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole
CID 84678196
2-amino-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)propanoic acid
CID 117373393
methyl 4-[(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)amino]butanoate
CID 26317738
2,2-dimethyl-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)propanoic acid
CID 117407398
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-benzoxazol-5-yl)methanone
CID 25479683
(2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide
CID 34339582
ethyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetate
CID 117412349

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one (CID 82289176) is 2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one is CC(C)C(=O)c1ccc2oc(C(C)C)nc2c1.
What is the InChIKey of 2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one?
The InChIKey is VLUMIDGOPMFXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-8(2)13(16)10-5-6-12-11(7-10)15-14(17-12)9(3)4/h5-9H,1-4H3.
What are the key properties of 2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one?
2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one has a molecular weight of 231.29 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one is sourced from PubChem (CID 82289176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).