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

C16H23N5O2S — CID 75435311

IUPAC4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(5-ethyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCCc1cnc(NC(=O)N2CCN(Cc3nc(C)c(C)o3)CC2)s1
InChIInChI=1S/C16H23N5O2S/c1-4-13-9-17-15(24-13)19-16(22)21-7-5-20(6-8-21)10-14-18-11(2)12(3)23-14/h9H,4-8,10H2,1-3H3,(H,17,19,22)
InChIKeyCASLXBMPMJFVKI-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.66
Rot. Bonds4

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

4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(5-ethyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 75435311) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(5-ethyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(5-ethyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID75435311
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(5-ethyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCCc1cnc(NC(=O)N2CCN(Cc3nc(C)c(C)o3)CC2)s1
InChIInChI=1S/C16H23N5O2S/c1-4-13-9-17-15(24-13)19-16(22)21-7-5-20(6-8-21)10-14-18-11(2)12(3)23-14/h9H,4-8,10H2,1-3H3,(H,17,19,22)
InChIKeyCASLXBMPMJFVKI-UHFFFAOYSA-N
XLogP2.66
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(5-ethyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(5-ethyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 75435311) is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(5-ethyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(5-ethyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(5-ethyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is CCc1cnc(NC(=O)N2CCN(Cc3nc(C)c(C)o3)CC2)s1.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(5-ethyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is CASLXBMPMJFVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-4-13-9-17-15(24-13)19-16(22)21-7-5-20(6-8-21)10-14-18-11(2)12(3)23-14/h9H,4-8,10H2,1-3H3,(H,17,19,22).
What are the key properties of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(5-ethyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(5-ethyl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(5-ethyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 75435311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).