[2-(1-amino-3-methylbutyl)-1,3-oxazol-4-yl]-(4-benzhydrylpiperazin-1-yl)methanone

C26H32N4O2 — CID 3682219

IUPAC[2-(1-amino-3-methylbutyl)-1,3-oxazol-4-yl]-(4-benzhydrylpiperazin-1-yl)methanone
SMILESCC(C)CC(N)c1nc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)co1
InChIInChI=1S/C26H32N4O2/c1-19(2)17-22(27)25-28-23(18-32-25)26(31)30-15-13-29(14-16-30)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,18-19,22,24H,13-17,27H2,1-2H3
InChIKeyIASLVNITHGGSAS-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.27
Rot. Bonds7

About [2-(1-amino-3-methylbutyl)-1,3-oxazol-4-yl]-(4-benzhydrylpiperazin-1-yl)methanone

[2-(1-amino-3-methylbutyl)-1,3-oxazol-4-yl]-(4-benzhydrylpiperazin-1-yl)methanone (PubChem CID 3682219) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is [2-(1-amino-3-methylbutyl)-1,3-oxazol-4-yl]-(4-benzhydrylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(1-amino-3-methylbutyl)-1,3-oxazol-4-yl]-(4-benzhydrylpiperazin-1-yl)methanone
PubChem CID3682219
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name[2-(1-amino-3-methylbutyl)-1,3-oxazol-4-yl]-(4-benzhydrylpiperazin-1-yl)methanone
SMILESCC(C)CC(N)c1nc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)co1
InChIInChI=1S/C26H32N4O2/c1-19(2)17-22(27)25-28-23(18-32-25)26(31)30-15-13-29(14-16-30)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,18-19,22,24H,13-17,27H2,1-2H3
InChIKeyIASLVNITHGGSAS-UHFFFAOYSA-N
XLogP4.27
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 3853952
[2-[(4-benzhydrylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]-(4-benzylpiperazin-1-yl)methanone
CID 46055800
[2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 3859728
[(2S)-1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea
CID 31615823
ethyl 1-[2-(1-amino-2-phenylethyl)-1,3-oxazole-4-carbonyl]piperidine-4-carboxylate
CID 3865870
4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 108867265
3-(4-benzhydrylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 2022751
[2-(1-amino-2-phenylethyl)-1,3-oxazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 3853938
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone
CID 3847869
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 3850350
[2-(1-aminopentyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4991020
piperidin-1-yl-(2-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 141385532

Frequently Asked Questions

What is the IUPAC name of [2-(1-amino-3-methylbutyl)-1,3-oxazol-4-yl]-(4-benzhydrylpiperazin-1-yl)methanone?
The IUPAC name of [2-(1-amino-3-methylbutyl)-1,3-oxazol-4-yl]-(4-benzhydrylpiperazin-1-yl)methanone (CID 3682219) is [2-(1-amino-3-methylbutyl)-1,3-oxazol-4-yl]-(4-benzhydrylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(1-amino-3-methylbutyl)-1,3-oxazol-4-yl]-(4-benzhydrylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(1-amino-3-methylbutyl)-1,3-oxazol-4-yl]-(4-benzhydrylpiperazin-1-yl)methanone is CC(C)CC(N)c1nc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)co1.
What is the InChIKey of [2-(1-amino-3-methylbutyl)-1,3-oxazol-4-yl]-(4-benzhydrylpiperazin-1-yl)methanone?
The InChIKey is IASLVNITHGGSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-19(2)17-22(27)25-28-23(18-32-25)26(31)30-15-13-29(14-16-30)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,18-19,22,24H,13-17,27H2,1-2H3.
What are the key properties of [2-(1-amino-3-methylbutyl)-1,3-oxazol-4-yl]-(4-benzhydrylpiperazin-1-yl)methanone?
[2-(1-amino-3-methylbutyl)-1,3-oxazol-4-yl]-(4-benzhydrylpiperazin-1-yl)methanone has a molecular weight of 432.57 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-amino-3-methylbutyl)-1,3-oxazol-4-yl]-(4-benzhydrylpiperazin-1-yl)methanone is sourced from PubChem (CID 3682219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).