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

C15H15N3O3S — CID 75436219

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1nc(C)c(C(C)NC(=O)c2cnoc2-c2ccco2)s1
InChIInChI=1S/C15H15N3O3S/c1-8-14(22-10(3)17-8)9(2)18-15(19)11-7-16-21-13(11)12-5-4-6-20-12/h4-7,9H,1-3H3,(H,18,19)
InChIKeyLPHZVYKQOJUPCM-UHFFFAOYSA-N
MW317.37 g/mol
LogP3.50
Rot. Bonds4

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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 75436219) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID75436219
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1nc(C)c(C(C)NC(=O)c2cnoc2-c2ccco2)s1
InChIInChI=1S/C15H15N3O3S/c1-8-14(22-10(3)17-8)9(2)18-15(19)11-7-16-21-13(11)12-5-4-6-20-12/h4-7,9H,1-3H3,(H,18,19)
InChIKeyLPHZVYKQOJUPCM-UHFFFAOYSA-N
XLogP3.50
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]furan-2-carboxamide
CID 47317372
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(methylamino)benzamide
CID 61376507
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide
CID 47317319
3-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]thiophene-2-carboxamide
CID 47317475
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(methylamino)benzamide
CID 62174107
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-methylbenzamide
CID 62512190
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 94033085
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 110470867
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 51094948
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluorobenzamide
CID 47317355
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 51096775
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-sulfanylbenzamide
CID 107025589

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-4-carboxamide (CID 75436219) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-4-carboxamide is Cc1nc(C)c(C(C)NC(=O)c2cnoc2-c2ccco2)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is LPHZVYKQOJUPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-8-14(22-10(3)17-8)9(2)18-15(19)11-7-16-21-13(11)12-5-4-6-20-12/h4-7,9H,1-3H3,(H,18,19).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-4-carboxamide?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 75436219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).