N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide

C23H33N5O2 — CID 53001903

IUPACN-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccn2)c1C(=O)NCCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C23H33N5O2/c1-18-21(22(26-30-18)20-10-5-6-11-24-20)23(29)25-12-7-13-27-14-16-28(17-15-27)19-8-3-2-4-9-19/h5-6,10-11,19H,2-4,7-9,12-17H2,1H3,(H,25,29)
InChIKeyYEDJSGCEZSVAHK-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.12
Rot. Bonds7

About N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide

N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 53001903) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
PubChem CID53001903
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC NameN-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccn2)c1C(=O)NCCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C23H33N5O2/c1-18-21(22(26-30-18)20-10-5-6-11-24-20)23(29)25-12-7-13-27-14-16-28(17-15-27)19-8-3-2-4-9-19/h5-6,10-11,19H,2-4,7-9,12-17H2,1H3,(H,25,29)
InChIKeyYEDJSGCEZSVAHK-UHFFFAOYSA-N
XLogP3.12
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 60516330
3-(2-chlorophenyl)-5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide
CID 42224430
3-(2-fluorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)-1,2-oxazole-4-carboxamide
CID 50805656
3-(2,6-dichlorophenyl)-5-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-4-carboxamide
CID 119391714
5-methyl-3-pyridin-2-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 53001861
N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
CID 53001884
5-methyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 22048939
5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
CID 126777850
5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 95050767
N-[3-[4-[5-(fluoromethoxy)-2-methoxyphenyl]piperazin-1-yl]propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 142654726
N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908963
3-(2,6-dichlorophenyl)-N-[2-[4-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4576801

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide (CID 53001903) is N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccn2)c1C(=O)NCCCN1CCN(C2CCCCC2)CC1.
What is the InChIKey of N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is YEDJSGCEZSVAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-18-21(22(26-30-18)20-10-5-6-11-24-20)23(29)25-12-7-13-27-14-16-28(17-15-27)19-8-3-2-4-9-19/h5-6,10-11,19H,2-4,7-9,12-17H2,1H3,(H,25,29).
What are the key properties of N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 53001903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).