N-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide

C16H23N3O3S — CID 46943757

IUPACN-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
SMILESCCCCN(C)C(=O)c1sc(=O)n(Cc2c(C)noc2C)c1C
InChIInChI=1S/C16H23N3O3S/c1-6-7-8-18(5)15(20)14-11(3)19(16(21)23-14)9-13-10(2)17-22-12(13)4/h6-9H2,1-5H3
InChIKeyPBUHEPUGCGVUBN-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.74
Rot. Bonds6

About N-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide

N-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide (PubChem CID 46943757) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
PubChem CID46943757
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
SMILESCCCCN(C)C(=O)c1sc(=O)n(Cc2c(C)noc2C)c1C
InChIInChI=1S/C16H23N3O3S/c1-6-7-8-18(5)15(20)14-11(3)19(16(21)23-14)9-13-10(2)17-22-12(13)4/h6-9H2,1-5H3
InChIKeyPBUHEPUGCGVUBN-UHFFFAOYSA-N
XLogP2.74
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide?
The IUPAC name of N-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide (CID 46943757) is N-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide is CCCCN(C)C(=O)c1sc(=O)n(Cc2c(C)noc2C)c1C.
What is the InChIKey of N-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide?
The InChIKey is PBUHEPUGCGVUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-6-7-8-18(5)15(20)14-11(3)19(16(21)23-14)9-13-10(2)17-22-12(13)4/h6-9H2,1-5H3.
What are the key properties of N-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide?
N-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46943757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).