2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide

C20H26N4O2 — CID 42856210

IUPAC2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCC1CC1)c1coc(CN2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C20H26N4O2/c25-20(21-12-16-6-7-16)18-15-26-19(22-18)14-24-10-8-23(9-11-24)13-17-4-2-1-3-5-17/h1-5,15-16H,6-14H2,(H,21,25)
InChIKeyHFVUVMFRUACHKU-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.13
Rot. Bonds7

About 2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide

2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 42856210) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID42856210
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCC1CC1)c1coc(CN2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C20H26N4O2/c25-20(21-12-16-6-7-16)18-15-26-19(22-18)14-24-10-8-23(9-11-24)13-17-4-2-1-3-5-17/h1-5,15-16H,6-14H2,(H,21,25)
InChIKeyHFVUVMFRUACHKU-UHFFFAOYSA-N
XLogP2.13
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-2-(piperazin-1-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42855773
2-[(4-benzylpiperazin-1-yl)methyl]-N-(3-hydroxy-2,2-dimethylpropyl)-1,3-oxazole-4-carboxamide
CID 30675465
2-[(4-benzylpiperazin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 29088068
2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 42850917
[2-[(4-benzylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methanone
CID 56722454
2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 45190486
N-(cyclopropylmethyl)-2-[[4-[(2S)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986405
N-benzyl-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46043476
2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42850919
N-benzyl-2-[[4-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986094
(4-benzylpiperazin-1-yl)-[2-[[4-(furan-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42856327
2-[[4-[[(5-bromo-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 141439321

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide (CID 42856210) is 2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide is O=C(NCC1CC1)c1coc(CN2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is HFVUVMFRUACHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-20(21-12-16-6-7-16)18-15-26-19(22-18)14-24-10-8-23(9-11-24)13-17-4-2-1-3-5-17/h1-5,15-16H,6-14H2,(H,21,25).
What are the key properties of 2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide?
2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42856210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).