methyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate

C18H16N2O4S — CID 1245267

IUPACmethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1c(C)noc1C
InChIInChI=1S/C18H16N2O4S/c1-10-14(11(2)24-20-10)16(21)19-17-15(18(22)23-3)13(9-25-17)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,19,21)
InChIKeyOXPXPSVSNODTAE-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.06
Rot. Bonds4

About methyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate

methyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate (PubChem CID 1245267) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is methyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate
PubChem CID1245267
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Namemethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1c(C)noc1C
InChIInChI=1S/C18H16N2O4S/c1-10-14(11(2)24-20-10)16(21)19-17-15(18(22)23-3)13(9-25-17)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,19,21)
InChIKeyOXPXPSVSNODTAE-UHFFFAOYSA-N
XLogP4.06
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate (CID 1245267) is methyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate is COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1c(C)noc1C.
What is the InChIKey of methyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate?
The InChIKey is OXPXPSVSNODTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-10-14(11(2)24-20-10)16(21)19-17-15(18(22)23-3)13(9-25-17)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,19,21).
What are the key properties of methyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate?
methyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate has a molecular weight of 356.40 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate is sourced from PubChem (CID 1245267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).