benzyl N-[2-(5-methyl-4-oxothieno[3,2-e][1,3]oxazin-2-yl)ethyl]carbamate

C17H16N2O4S — CID 67723070

IUPACbenzyl N-[2-(5-methyl-4-oxothieno[3,2-e][1,3]oxazin-2-yl)ethyl]carbamate
SMILESCc1csc2oc(CCNC(=O)OCc3ccccc3)nc(=O)c12
InChIInChI=1S/C17H16N2O4S/c1-11-10-24-16-14(11)15(20)19-13(23-16)7-8-18-17(21)22-9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,18,21)
InChIKeyVBFPAEDQFFSHIT-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.03
Rot. Bonds5

About benzyl N-[2-(5-methyl-4-oxothieno[3,2-e][1,3]oxazin-2-yl)ethyl]carbamate

benzyl N-[2-(5-methyl-4-oxothieno[3,2-e][1,3]oxazin-2-yl)ethyl]carbamate (PubChem CID 67723070) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is benzyl N-[2-(5-methyl-4-oxothieno[3,2-e][1,3]oxazin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(5-methyl-4-oxothieno[3,2-e][1,3]oxazin-2-yl)ethyl]carbamate
PubChem CID67723070
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Namebenzyl N-[2-(5-methyl-4-oxothieno[3,2-e][1,3]oxazin-2-yl)ethyl]carbamate
SMILESCc1csc2oc(CCNC(=O)OCc3ccccc3)nc(=O)c12
InChIInChI=1S/C17H16N2O4S/c1-11-10-24-16-14(11)15(20)19-13(23-16)7-8-18-17(21)22-9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,18,21)
InChIKeyVBFPAEDQFFSHIT-UHFFFAOYSA-N
XLogP3.03
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[5-methyl-4-oxo-2-[2-(phenylmethoxycarbonylamino)ethyl]thieno[3,2-e][1,3]oxazin-6-yl]carbamoylamino]benzoate
CID 67723081
benzyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110322483
benzyl N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate
CID 7530972
ethyl 2-methyl-5-[2-(phenylmethoxycarbonylamino)ethyl]-1,3-oxazole-4-carboxylate
CID 146591456
benzyl N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 110324084
benzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate
CID 110714627
benzyl N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 110323449
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
benzyl N-[2-(4-ethylphenyl)ethyl]carbamate
CID 90974027
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856
benzyl N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]carbamate
CID 110415278

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(5-methyl-4-oxothieno[3,2-e][1,3]oxazin-2-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(5-methyl-4-oxothieno[3,2-e][1,3]oxazin-2-yl)ethyl]carbamate (CID 67723070) is benzyl N-[2-(5-methyl-4-oxothieno[3,2-e][1,3]oxazin-2-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(5-methyl-4-oxothieno[3,2-e][1,3]oxazin-2-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(5-methyl-4-oxothieno[3,2-e][1,3]oxazin-2-yl)ethyl]carbamate is Cc1csc2oc(CCNC(=O)OCc3ccccc3)nc(=O)c12.
What is the InChIKey of benzyl N-[2-(5-methyl-4-oxothieno[3,2-e][1,3]oxazin-2-yl)ethyl]carbamate?
The InChIKey is VBFPAEDQFFSHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-11-10-24-16-14(11)15(20)19-13(23-16)7-8-18-17(21)22-9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,18,21).
What are the key properties of benzyl N-[2-(5-methyl-4-oxothieno[3,2-e][1,3]oxazin-2-yl)ethyl]carbamate?
benzyl N-[2-(5-methyl-4-oxothieno[3,2-e][1,3]oxazin-2-yl)ethyl]carbamate has a molecular weight of 344.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(5-methyl-4-oxothieno[3,2-e][1,3]oxazin-2-yl)ethyl]carbamate is sourced from PubChem (CID 67723070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).