N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide

C24H34N4O3 — CID 86869144

IUPACN-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)NC(c3ccc(CC(C)C)cc3)C(C)C)CC2)on1
InChIInChI=1S/C24H34N4O3/c1-16(2)14-19-6-8-20(9-7-19)22(17(3)4)25-24(30)28-12-10-27(11-13-28)23(29)21-15-18(5)26-31-21/h6-9,15-17,22H,10-14H2,1-5H3,(H,25,30)
InChIKeyBTFGTDOXXUHWRO-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.05
Rot. Bonds6

About N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide

N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide (PubChem CID 86869144) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide
PubChem CID86869144
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC NameN-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)NC(c3ccc(CC(C)C)cc3)C(C)C)CC2)on1
InChIInChI=1S/C24H34N4O3/c1-16(2)14-19-6-8-20(9-7-19)22(17(3)4)25-24(30)28-12-10-27(11-13-28)23(29)21-15-18(5)26-31-21/h6-9,15-17,22H,10-14H2,1-5H3,(H,25,30)
InChIKeyBTFGTDOXXUHWRO-UHFFFAOYSA-N
XLogP4.05
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide (CID 86869144) is N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide is Cc1cc(C(=O)N2CCN(C(=O)NC(c3ccc(CC(C)C)cc3)C(C)C)CC2)on1.
What is the InChIKey of N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide?
The InChIKey is BTFGTDOXXUHWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-16(2)14-19-6-8-20(9-7-19)22(17(3)4)25-24(30)28-12-10-27(11-13-28)23(29)21-15-18(5)26-31-21/h6-9,15-17,22H,10-14H2,1-5H3,(H,25,30).
What are the key properties of N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide?
N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 86869144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).