ethyl N-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]carbamate

C12H11ClN2O5 — CID 8986413

IUPACethyl N-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]carbamate
SMILESCCOC(=O)NC(=O)Cn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C12H11ClN2O5/c1-2-19-11(17)14-10(16)6-15-8-4-3-7(13)5-9(8)20-12(15)18/h3-5H,2,6H2,1H3,(H,14,16,17)
InChIKeyAMRQNUZCDABNNE-UHFFFAOYSA-N
MW298.68 g/mol
LogP1.52
Rot. Bonds3

About ethyl N-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]carbamate

ethyl N-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]carbamate (PubChem CID 8986413) has the molecular formula C12H11ClN2O5 and a molecular weight of 298.68 g/mol. Its IUPAC name is ethyl N-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]carbamate
PubChem CID8986413
Molecular FormulaC12H11ClN2O5
Molecular Weight298.68 g/mol
Exact Mass298.04
IUPAC Nameethyl N-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]carbamate
SMILESCCOC(=O)NC(=O)Cn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C12H11ClN2O5/c1-2-19-11(17)14-10(16)6-15-8-4-3-7(13)5-9(8)20-12(15)18/h3-5H,2,6H2,1H3,(H,14,16,17)
InChIKeyAMRQNUZCDABNNE-UHFFFAOYSA-N
XLogP1.52
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.68
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 20949278
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide
CID 8986285
methyl (2R,3S)-2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-3-methylpentanoate
CID 8986799
ethyl 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 121014059
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide
CID 8986163
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8986893
N-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 8986207
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8986816
methyl (2S)-2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-3-phenylpropanoate
CID 8986905
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 8986591
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,5-difluorophenyl)acetamide
CID 8986314
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N,N-bis(2-methylpropyl)acetamide
CID 69033756

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]carbamate?
The IUPAC name of ethyl N-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]carbamate (CID 8986413) is ethyl N-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]carbamate?
The canonical SMILES for ethyl N-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]carbamate is CCOC(=O)NC(=O)Cn1c(=O)oc2cc(Cl)ccc21.
What is the InChIKey of ethyl N-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]carbamate?
The InChIKey is AMRQNUZCDABNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O5/c1-2-19-11(17)14-10(16)6-15-8-4-3-7(13)5-9(8)20-12(15)18/h3-5H,2,6H2,1H3,(H,14,16,17).
What are the key properties of ethyl N-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]carbamate?
ethyl N-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]carbamate has a molecular weight of 298.68 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]carbamate is sourced from PubChem (CID 8986413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).