ethyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetate

C14H17NO4 — CID 117412349

IUPACethyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetate
SMILESCCOC(=O)C(O)c1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C14H17NO4/c1-4-18-14(17)12(16)9-5-6-11-10(7-9)15-13(19-11)8(2)3/h5-8,12,16H,4H2,1-3H3
InChIKeyZFXDQWQFDRZSAJ-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.55
Rot. Bonds4

About ethyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetate

ethyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetate (PubChem CID 117412349) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetate
PubChem CID117412349
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Nameethyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetate
SMILESCCOC(=O)C(O)c1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C14H17NO4/c1-4-18-14(17)12(16)9-5-6-11-10(7-9)15-13(19-11)8(2)3/h5-8,12,16H,4H2,1-3H3
InChIKeyZFXDQWQFDRZSAJ-UHFFFAOYSA-N
XLogP2.55
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-hydroxy-2-(2-methyl-1-benzofuran-5-yl)acetate
CID 117340140
5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole
CID 84678196
methyl 2-(1-ethoxy-1-oxopropan-2-yl)-1,3-benzoxazole-5-carboxylate
CID 129243235
2-amino-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)propanoic acid
CID 117373393
2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide
CID 43711177
ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate
CID 12717588
(2S,3S)-2-amino-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)pentanamide
CID 61179344
2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one
CID 82289176
ethyl 2-(1,3-benzoxazol-2-yl)-2-sulfanylacetate
CID 121221429
2,2-dimethyl-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)propanoic acid
CID 117407398
methyl 2-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-hydroxyacetate
CID 117412370
3-amino-4-oxo-4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 64895304

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetate (CID 117412349) is ethyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetate is CCOC(=O)C(O)c1ccc2oc(C(C)C)nc2c1.
What is the InChIKey of ethyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetate?
The InChIKey is ZFXDQWQFDRZSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-4-18-14(17)12(16)9-5-6-11-10(7-9)15-13(19-11)8(2)3/h5-8,12,16H,4H2,1-3H3.
What are the key properties of ethyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetate?
ethyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetate has a molecular weight of 263.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetate is sourced from PubChem (CID 117412349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).