3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1,2-oxazole-4-carbohydrazide

C19H26N5O3+ — CID 2649187

IUPAC3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1,2-oxazole-4-carbohydrazide
SMILESCc1noc(C)c1C(=O)NNC(=O)CC[NH+]1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H25N5O3/c1-14-18(15(2)27-22-14)19(26)21-20-17(25)8-9-23-10-12-24(13-11-23)16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3,(H,20,25)(H,21,26)/p+1
InChIKeyJZGIWEGWQBRPLR-UHFFFAOYSA-O
MW372.45 g/mol
LogP-0.15
Rot. Bonds5

About 3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1,2-oxazole-4-carbohydrazide

3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1,2-oxazole-4-carbohydrazide (PubChem CID 2649187) has the molecular formula C19H26N5O3+ and a molecular weight of 372.45 g/mol. Its IUPAC name is 3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1,2-oxazole-4-carbohydrazide
PubChem CID2649187
Molecular FormulaC19H26N5O3+
Molecular Weight372.45 g/mol
Exact Mass372.20
IUPAC Name3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1,2-oxazole-4-carbohydrazide
SMILESCc1noc(C)c1C(=O)NNC(=O)CC[NH+]1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H25N5O3/c1-14-18(15(2)27-22-14)19(26)21-20-17(25)8-9-23-10-12-24(13-11-23)16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3,(H,20,25)(H,21,26)/p+1
InChIKeyJZGIWEGWQBRPLR-UHFFFAOYSA-O
XLogP-0.15
TPSA91.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide
CID 7891809
5-chloro-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 9150982
1-(3,5-dimethylphenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea
CID 8614651
4-(difluoromethoxy)-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide
CID 7891743
3-(4-phenylpiperazin-1-ium-1-yl)-N'-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]propanehydrazide
CID 9150830
N'-[2-(3-fluorophenyl)acetyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide
CID 7550967
(2S)-2-(3-methylphenoxy)-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]propanehydrazide
CID 7550974
N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide
CID 9150896
1-(4-ethoxyphenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea
CID 8614583
N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 9163466
[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92633071
3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanamide
CID 7955734

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1,2-oxazole-4-carbohydrazide?
The IUPAC name of 3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1,2-oxazole-4-carbohydrazide (CID 2649187) is 3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for 3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for 3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1,2-oxazole-4-carbohydrazide is Cc1noc(C)c1C(=O)NNC(=O)CC[NH+]1CCN(c2ccccc2)CC1.
What is the InChIKey of 3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1,2-oxazole-4-carbohydrazide?
The InChIKey is JZGIWEGWQBRPLR-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25N5O3/c1-14-18(15(2)27-22-14)19(26)21-20-17(25)8-9-23-10-12-24(13-11-23)16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3,(H,20,25)(H,21,26)/p+1.
What are the key properties of 3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1,2-oxazole-4-carbohydrazide?
3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1,2-oxazole-4-carbohydrazide has a molecular weight of 372.45 g/mol, XLogP of -0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 2649187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).