ethyl 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetate

C15H18N2O6S — CID 6622485

IUPACethyl 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetate
SMILESCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C15H18N2O6S/c1-2-22-14(18)10-17-12-6-5-11(9-13(12)23-15(17)19)24(20,21)16-7-3-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyOKTOWNDXRVBHEL-UHFFFAOYSA-N
MW354.38 g/mol
LogP0.94
Rot. Bonds5

About ethyl 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetate

ethyl 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetate (PubChem CID 6622485) has the molecular formula C15H18N2O6S and a molecular weight of 354.38 g/mol. Its IUPAC name is ethyl 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetate
PubChem CID6622485
Molecular FormulaC15H18N2O6S
Molecular Weight354.38 g/mol
Exact Mass354.09
IUPAC Nameethyl 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetate
SMILESCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C15H18N2O6S/c1-2-22-14(18)10-17-12-6-5-11(9-13(12)23-15(17)19)24(20,21)16-7-3-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyOKTOWNDXRVBHEL-UHFFFAOYSA-N
XLogP0.94
TPSA98.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(azepan-1-ylsulfonyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
CID 19260010
2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid
CID 3672745
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 20879533
methyl 2-[6-(4-methylpiperazin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051867
3-(2-morpholin-4-yl-2-oxoethyl)-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 19259995
propyl 2-[6-(4-cyclohexylpiperazin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051998
3-[2-(3-ethoxyphenyl)-2-oxoethyl]-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 19259756
ethyl (3S)-1-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoyl]piperidine-3-carboxylate
CID 26644115
N-[(4-methylphenyl)methyl]-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 126458519
3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoate
CID 7131706
N-(2,3-dimethylphenyl)-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 23603586
N-(4-methoxyphenyl)-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 19260097

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetate?
The IUPAC name of ethyl 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetate (CID 6622485) is ethyl 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetate?
The canonical SMILES for ethyl 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetate is CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21.
What is the InChIKey of ethyl 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetate?
The InChIKey is OKTOWNDXRVBHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6S/c1-2-22-14(18)10-17-12-6-5-11(9-13(12)23-15(17)19)24(20,21)16-7-3-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3.
What are the key properties of ethyl 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetate?
ethyl 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetate has a molecular weight of 354.38 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetate is sourced from PubChem (CID 6622485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).