N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide

C15H21N5O2S — CID 47866276

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
SMILESCc1noc(C)c1CNC(=O)N1CCN(Cc2cscn2)CC1
InChIInChI=1S/C15H21N5O2S/c1-11-14(12(2)22-18-11)7-16-15(21)20-5-3-19(4-6-20)8-13-9-23-10-17-13/h9-10H,3-8H2,1-2H3,(H,16,21)
InChIKeyFUAJYIUYFBDLEF-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.78
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 47866276) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
PubChem CID47866276
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
SMILESCc1noc(C)c1CNC(=O)N1CCN(Cc2cscn2)CC1
InChIInChI=1S/C15H21N5O2S/c1-11-14(12(2)22-18-11)7-16-15(21)20-5-3-19(4-6-20)8-13-9-23-10-17-13/h9-10H,3-8H2,1-2H3,(H,16,21)
InChIKeyFUAJYIUYFBDLEF-UHFFFAOYSA-N
XLogP1.78
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide (CID 47866276) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide is Cc1noc(C)c1CNC(=O)N1CCN(Cc2cscn2)CC1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is FUAJYIUYFBDLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-11-14(12(2)22-18-11)7-16-15(21)20-5-3-19(4-6-20)8-13-9-23-10-17-13/h9-10H,3-8H2,1-2H3,(H,16,21).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 47866276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).