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

C15H26N4O2 — CID 91888228

IUPACN-butan-2-yl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCN(Cc2c(C)noc2C)CC1
InChIInChI=1S/C15H26N4O2/c1-5-11(2)16-15(20)19-8-6-18(7-9-19)10-14-12(3)17-21-13(14)4/h11H,5-10H2,1-4H3,(H,16,20)
InChIKeyBQOFHDOBHKBGGW-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.92
Rot. Bonds4

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

N-butan-2-yl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxamide (PubChem CID 91888228) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-butan-2-yl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxamide
PubChem CID91888228
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-butan-2-yl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCN(Cc2c(C)noc2C)CC1
InChIInChI=1S/C15H26N4O2/c1-5-11(2)16-15(20)19-8-6-18(7-9-19)10-14-12(3)17-21-13(14)4/h11H,5-10H2,1-4H3,(H,16,20)
InChIKeyBQOFHDOBHKBGGW-UHFFFAOYSA-N
XLogP1.92
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-butan-2-yl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxamide (CID 91888228) is N-butan-2-yl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-butan-2-yl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxamide is CCC(C)NC(=O)N1CCN(Cc2c(C)noc2C)CC1.
What is the InChIKey of N-butan-2-yl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxamide?
The InChIKey is BQOFHDOBHKBGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-11(2)16-15(20)19-8-6-18(7-9-19)10-14-12(3)17-21-13(14)4/h11H,5-10H2,1-4H3,(H,16,20).
What are the key properties of N-butan-2-yl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxamide?
N-butan-2-yl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 91888228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).