2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide

C16H17N5O4S — CID 72717084

IUPAC2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(NC(=O)c2coc(NC(=O)Cc3c(C)noc3C)n2)sc1C
InChIInChI=1S/C16H17N5O4S/c1-7-10(4)26-16(17-7)20-14(23)12-6-24-15(18-12)19-13(22)5-11-8(2)21-25-9(11)3/h6H,5H2,1-4H3,(H,17,20,23)(H,18,19,22)
InChIKeyZKHVWVZFXSXOPC-UHFFFAOYSA-N
MW375.41 g/mol
LogP2.79
Rot. Bonds5

About 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide

2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide (PubChem CID 72717084) has the molecular formula C16H17N5O4S and a molecular weight of 375.41 g/mol. Its IUPAC name is 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
PubChem CID72717084
Molecular FormulaC16H17N5O4S
Molecular Weight375.41 g/mol
Exact Mass375.10
IUPAC Name2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(NC(=O)c2coc(NC(=O)Cc3c(C)noc3C)n2)sc1C
InChIInChI=1S/C16H17N5O4S/c1-7-10(4)26-16(17-7)20-14(23)12-6-24-15(18-12)19-13(22)5-11-8(2)21-25-9(11)3/h6H,5H2,1-4H3,(H,17,20,23)(H,18,19,22)
InChIKeyZKHVWVZFXSXOPC-UHFFFAOYSA-N
XLogP2.79
TPSA123.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide (CID 72717084) is 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide is Cc1nc(NC(=O)c2coc(NC(=O)Cc3c(C)noc3C)n2)sc1C.
What is the InChIKey of 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is ZKHVWVZFXSXOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4S/c1-7-10(4)26-16(17-7)20-14(23)12-6-24-15(18-12)19-13(22)5-11-8(2)21-25-9(11)3/h6H,5H2,1-4H3,(H,17,20,23)(H,18,19,22).
What are the key properties of 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 72717084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).