N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide

C14H13N3O4S — CID 56861094

IUPACN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1nc(C)c(C(=O)NCc2cc(-c3ccco3)on2)s1
InChIInChI=1S/C14H13N3O4S/c1-8-12(22-14(16-8)19-2)13(18)15-7-9-6-11(21-17-9)10-4-3-5-20-10/h3-6H,7H2,1-2H3,(H,15,18)
InChIKeyHKYHRMRTEDETOB-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.64
Rot. Bonds5

About N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide

N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 56861094) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID56861094
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC NameN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1nc(C)c(C(=O)NCc2cc(-c3ccco3)on2)s1
InChIInChI=1S/C14H13N3O4S/c1-8-12(22-14(16-8)19-2)13(18)15-7-9-6-11(21-17-9)10-4-3-5-20-10/h3-6H,7H2,1-2H3,(H,15,18)
InChIKeyHKYHRMRTEDETOB-UHFFFAOYSA-N
XLogP2.64
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide (CID 56861094) is N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide is COc1nc(C)c(C(=O)NCc2cc(-c3ccco3)on2)s1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is HKYHRMRTEDETOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S/c1-8-12(22-14(16-8)19-2)13(18)15-7-9-6-11(21-17-9)10-4-3-5-20-10/h3-6H,7H2,1-2H3,(H,15,18).
What are the key properties of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide?
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56861094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).