4-methyl-2-propan-2-yl-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazine-1-carboxamide

C20H29N5O2 — CID 126770840

IUPAC4-methyl-2-propan-2-yl-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazine-1-carboxamide
SMILESCC(C)c1noc(-c2ccc(NC(=O)N3CCN(C)CC3C(C)C)cc2)n1
InChIInChI=1S/C20H29N5O2/c1-13(2)17-12-24(5)10-11-25(17)20(26)21-16-8-6-15(7-9-16)19-22-18(14(3)4)23-27-19/h6-9,13-14,17H,10-12H2,1-5H3,(H,21,26)
InChIKeyIWGVTDKFOVAPHN-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.66
Rot. Bonds4

About 4-methyl-2-propan-2-yl-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazine-1-carboxamide

4-methyl-2-propan-2-yl-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazine-1-carboxamide (PubChem CID 126770840) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazine-1-carboxamide
PubChem CID126770840
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name4-methyl-2-propan-2-yl-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazine-1-carboxamide
SMILESCC(C)c1noc(-c2ccc(NC(=O)N3CCN(C)CC3C(C)C)cc2)n1
InChIInChI=1S/C20H29N5O2/c1-13(2)17-12-24(5)10-11-25(17)20(26)21-16-8-6-15(7-9-16)19-22-18(14(3)4)23-27-19/h6-9,13-14,17H,10-12H2,1-5H3,(H,21,26)
InChIKeyIWGVTDKFOVAPHN-UHFFFAOYSA-N
XLogP3.66
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-methyl-2-propan-2-yl-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazine-1-carboxamide (CID 126770840) is 4-methyl-2-propan-2-yl-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-2-propan-2-yl-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-2-propan-2-yl-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazine-1-carboxamide is CC(C)c1noc(-c2ccc(NC(=O)N3CCN(C)CC3C(C)C)cc2)n1.
What is the InChIKey of 4-methyl-2-propan-2-yl-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is IWGVTDKFOVAPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-13(2)17-12-24(5)10-11-25(17)20(26)21-16-8-6-15(7-9-16)19-22-18(14(3)4)23-27-19/h6-9,13-14,17H,10-12H2,1-5H3,(H,21,26).
What are the key properties of 4-methyl-2-propan-2-yl-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazine-1-carboxamide?
4-methyl-2-propan-2-yl-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 126770840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).