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

C13H22N4O2 — CID 47126646

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(Cc2c(C)noc2C)CC1
InChIInChI=1S/C13H22N4O2/c1-4-14-13(18)17-7-5-16(6-8-17)9-12-10(2)15-19-11(12)3/h4-9H2,1-3H3,(H,14,18)
InChIKeyMUGFCMKDUMYWPA-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.14
Rot. Bonds3

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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 47126646) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide
PubChem CID47126646
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(Cc2c(C)noc2C)CC1
InChIInChI=1S/C13H22N4O2/c1-4-14-13(18)17-7-5-16(6-8-17)9-12-10(2)15-19-11(12)3/h4-9H2,1-3H3,(H,14,18)
InChIKeyMUGFCMKDUMYWPA-UHFFFAOYSA-N
XLogP1.14
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide (CID 47126646) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(Cc2c(C)noc2C)CC1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is MUGFCMKDUMYWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-14-13(18)17-7-5-16(6-8-17)9-12-10(2)15-19-11(12)3/h4-9H2,1-3H3,(H,14,18).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 47126646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).