benzyl N-[(1S)-2-methyl-1-(4-oxothieno[3,2-d][1,3]oxazin-2-yl)propyl]carbamate

C18H18N2O4S — CID 504615

IUPACbenzyl N-[(1S)-2-methyl-1-(4-oxothieno[3,2-d][1,3]oxazin-2-yl)propyl]carbamate
SMILESCC(C)[C@H](NC(=O)OCc1ccccc1)c1nc2ccsc2c(=O)o1
InChIInChI=1S/C18H18N2O4S/c1-11(2)14(16-19-13-8-9-25-15(13)17(21)24-16)20-18(22)23-10-12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyFUQPSKOYLOJFMA-AWEZNQCLSA-N
MW358.42 g/mol
LogP3.87
Rot. Bonds5

About benzyl N-[(1S)-2-methyl-1-(4-oxothieno[3,2-d][1,3]oxazin-2-yl)propyl]carbamate

benzyl N-[(1S)-2-methyl-1-(4-oxothieno[3,2-d][1,3]oxazin-2-yl)propyl]carbamate (PubChem CID 504615) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is benzyl N-[(1S)-2-methyl-1-(4-oxothieno[3,2-d][1,3]oxazin-2-yl)propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-2-methyl-1-(4-oxothieno[3,2-d][1,3]oxazin-2-yl)propyl]carbamate
PubChem CID504615
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Namebenzyl N-[(1S)-2-methyl-1-(4-oxothieno[3,2-d][1,3]oxazin-2-yl)propyl]carbamate
SMILESCC(C)[C@H](NC(=O)OCc1ccccc1)c1nc2ccsc2c(=O)o1
InChIInChI=1S/C18H18N2O4S/c1-11(2)14(16-19-13-8-9-25-15(13)17(21)24-16)20-18(22)23-10-12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyFUQPSKOYLOJFMA-AWEZNQCLSA-N
XLogP3.87
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze benzyl N-[(1S)-2-methyl-1-(4-oxothieno[3,2-d][1,3]oxazin-2-yl)propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-[(1R)-2-methyl-1-(phenylmethoxycarbonylamino)propyl]-1,3-oxazole-4-carboxylic acid
CID 91758156
benzyl N-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethyl]carbamate
CID 100978788
benzyl N-[(1S)-1-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate
CID 139788293
benzyl N-[(1S)-1-(5-methyl-4-oxo-6-phenylthieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate
CID 67724152
benzyl N-[2-methyl-1-[5-[4-[4-[2-(phenylmethoxycarbonylaminomethyl)-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazol-2-yl]propyl]carbamate
CID 134421164
2-[5-[(1S)-2-methyl-1-(phenylmethoxycarbonylamino)propyl]-1,3-thiazol-2-yl]propanoic acid
CID 118184175
benzyl N-[1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate
CID 73023394
benzyl N-[(2R)-1-oxo-1-[[4-oxo-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-3,1-benzoxazin-7-yl]amino]propan-2-yl]carbamate
CID 71121029
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
benzyl N-[amino-[4-oxo-7-[2-(phenylmethoxycarbonylamino)propanoylamino]-3,1-benzoxazin-2-yl]methyl]carbamate
CID 142977418
[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphonous acid
CID 21325852
benzyl N-[(3S)-1-amino-4-methyl-1-oxopentan-3-yl]carbamate
CID 54429154

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-2-methyl-1-(4-oxothieno[3,2-d][1,3]oxazin-2-yl)propyl]carbamate?
The IUPAC name of benzyl N-[(1S)-2-methyl-1-(4-oxothieno[3,2-d][1,3]oxazin-2-yl)propyl]carbamate (CID 504615) is benzyl N-[(1S)-2-methyl-1-(4-oxothieno[3,2-d][1,3]oxazin-2-yl)propyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-2-methyl-1-(4-oxothieno[3,2-d][1,3]oxazin-2-yl)propyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-2-methyl-1-(4-oxothieno[3,2-d][1,3]oxazin-2-yl)propyl]carbamate is CC(C)[C@H](NC(=O)OCc1ccccc1)c1nc2ccsc2c(=O)o1.
What is the InChIKey of benzyl N-[(1S)-2-methyl-1-(4-oxothieno[3,2-d][1,3]oxazin-2-yl)propyl]carbamate?
The InChIKey is FUQPSKOYLOJFMA-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-11(2)14(16-19-13-8-9-25-15(13)17(21)24-16)20-18(22)23-10-12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of benzyl N-[(1S)-2-methyl-1-(4-oxothieno[3,2-d][1,3]oxazin-2-yl)propyl]carbamate?
benzyl N-[(1S)-2-methyl-1-(4-oxothieno[3,2-d][1,3]oxazin-2-yl)propyl]carbamate has a molecular weight of 358.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-2-methyl-1-(4-oxothieno[3,2-d][1,3]oxazin-2-yl)propyl]carbamate is sourced from PubChem (CID 504615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).