N-[4-(2-amino-2-oxoethoxy)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

C17H15N3O4S — CID 55706690

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cccs2)nc1C(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C17H15N3O4S/c1-10-15(20-17(24-10)13-3-2-8-25-13)16(22)19-11-4-6-12(7-5-11)23-9-14(18)21/h2-8H,9H2,1H3,(H2,18,21)(H,19,22)
InChIKeyAAXUEDCNANWMMG-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.83
Rot. Bonds6

About N-[4-(2-amino-2-oxoethoxy)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-[4-(2-amino-2-oxoethoxy)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 55706690) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID55706690
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cccs2)nc1C(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C17H15N3O4S/c1-10-15(20-17(24-10)13-3-2-8-25-13)16(22)19-11-4-6-12(7-5-11)23-9-14(18)21/h2-8H,9H2,1H3,(H2,18,21)(H,19,22)
InChIKeyAAXUEDCNANWMMG-UHFFFAOYSA-N
XLogP2.83
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 55706690) is N-[4-(2-amino-2-oxoethoxy)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(OCC(N)=O)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is AAXUEDCNANWMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-10-15(20-17(24-10)13-3-2-8-25-13)16(22)19-11-4-6-12(7-5-11)23-9-14(18)21/h2-8H,9H2,1H3,(H2,18,21)(H,19,22).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 55706690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).