methyl N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate

C12H11N3O5S — CID 16953741

IUPACmethyl N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
SMILESCOC(=O)NC(=O)c1ccsc1NC(=O)c1cc(C)on1
InChIInChI=1S/C12H11N3O5S/c1-6-5-8(15-20-6)10(17)13-11-7(3-4-21-11)9(16)14-12(18)19-2/h3-5H,1-2H3,(H,13,17)(H,14,16,18)
InChIKeyPMSIKUCSOKJKCV-UHFFFAOYSA-N
MW309.30 g/mol
LogP1.79
Rot. Bonds3

About methyl N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate

methyl N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate (PubChem CID 16953741) has the molecular formula C12H11N3O5S and a molecular weight of 309.30 g/mol. Its IUPAC name is methyl N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
PubChem CID16953741
Molecular FormulaC12H11N3O5S
Molecular Weight309.30 g/mol
Exact Mass309.04
IUPAC Namemethyl N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
SMILESCOC(=O)NC(=O)c1ccsc1NC(=O)c1cc(C)on1
InChIInChI=1S/C12H11N3O5S/c1-6-5-8(15-20-6)10(17)13-11-7(3-4-21-11)9(16)14-12(18)19-2/h3-5H,1-2H3,(H,13,17)(H,14,16,18)
InChIKeyPMSIKUCSOKJKCV-UHFFFAOYSA-N
XLogP1.79
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7192458
2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylic acid
CID 66156725
ethyl N-[2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 86581978
methyl N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl]carbamate
CID 16953774
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
ethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464988
methyl N-[2-[(3-butoxybenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167065
methyl 5-ethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate
CID 17173919
5-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 38999572
methyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate
CID 7167092
methyl N-[2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 7167067
N-(2-hydroxy-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 163522026

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The IUPAC name of methyl N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate (CID 16953741) is methyl N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate.
What is the SMILES notation for methyl N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The canonical SMILES for methyl N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate is COC(=O)NC(=O)c1ccsc1NC(=O)c1cc(C)on1.
What is the InChIKey of methyl N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The InChIKey is PMSIKUCSOKJKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5S/c1-6-5-8(15-20-6)10(17)13-11-7(3-4-21-11)9(16)14-12(18)19-2/h3-5H,1-2H3,(H,13,17)(H,14,16,18).
What are the key properties of methyl N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate?
methyl N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate has a molecular weight of 309.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 16953741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).