N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide

C17H15N3O5S — CID 23144117

IUPACN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccno1
InChIInChI=1S/C17H15N3O5S/c21-14(10-4-8-23-9-5-10)15-13(11-2-1-7-24-11)19-17(26-15)20-16(22)12-3-6-18-25-12/h1-3,6-7,10H,4-5,8-9H2,(H,19,20,22)
InChIKeyAETMBFSGUMRVJO-UHFFFAOYSA-N
MW373.39 g/mol
LogP3.25
Rot. Bonds5

About N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide

N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 23144117) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
PubChem CID23144117
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC NameN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccno1
InChIInChI=1S/C17H15N3O5S/c21-14(10-4-8-23-9-5-10)15-13(11-2-1-7-24-11)19-17(26-15)20-16(22)12-3-6-18-25-12/h1-3,6-7,10H,4-5,8-9H2,(H,19,20,22)
InChIKeyAETMBFSGUMRVJO-UHFFFAOYSA-N
XLogP3.25
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide (CID 23144117) is N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide is O=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccno1.
What is the InChIKey of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is AETMBFSGUMRVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c21-14(10-4-8-23-9-5-10)15-13(11-2-1-7-24-11)19-17(26-15)20-16(22)12-3-6-18-25-12/h1-3,6-7,10H,4-5,8-9H2,(H,19,20,22).
What are the key properties of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide?
N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 23144117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).