N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

C15H15N3O3S — CID 46347111

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1noc(C)c1CCNC(=O)c1ncoc1-c1cccs1
InChIInChI=1S/C15H15N3O3S/c1-9-11(10(2)21-18-9)5-6-16-15(19)13-14(20-8-17-13)12-4-3-7-22-12/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)
InChIKeyMBTSQBPMFIIDOE-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.98
Rot. Bonds5

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 46347111) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID46347111
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1noc(C)c1CCNC(=O)c1ncoc1-c1cccs1
InChIInChI=1S/C15H15N3O3S/c1-9-11(10(2)21-18-9)5-6-16-15(19)13-14(20-8-17-13)12-4-3-7-22-12/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)
InChIKeyMBTSQBPMFIIDOE-UHFFFAOYSA-N
XLogP2.98
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 46347111) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is Cc1noc(C)c1CCNC(=O)c1ncoc1-c1cccs1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is MBTSQBPMFIIDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-9-11(10(2)21-18-9)5-6-16-15(19)13-14(20-8-17-13)12-4-3-7-22-12/h3-4,7-8H,5-6H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46347111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).