1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide

C20H25N5O3 — CID 109143981

IUPAC1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCc1cc(NC(=O)C2CC2C(=O)Nc2ccc(N3CCN(C)CC3)cc2)no1
InChIInChI=1S/C20H25N5O3/c1-13-11-18(23-28-13)22-20(27)17-12-16(17)19(26)21-14-3-5-15(6-4-14)25-9-7-24(2)8-10-25/h3-6,11,16-17H,7-10,12H2,1-2H3,(H,21,26)(H,22,23,27)
InChIKeyZSGVVUDEZUJCOC-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.95
Rot. Bonds5

About 1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide

1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109143981) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
PubChem CID109143981
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCc1cc(NC(=O)C2CC2C(=O)Nc2ccc(N3CCN(C)CC3)cc2)no1
InChIInChI=1S/C20H25N5O3/c1-13-11-18(23-28-13)22-20(27)17-12-16(17)19(26)21-14-3-5-15(6-4-14)25-9-7-24(2)8-10-25/h3-6,11,16-17H,7-10,12H2,1-2H3,(H,21,26)(H,22,23,27)
InChIKeyZSGVVUDEZUJCOC-UHFFFAOYSA-N
XLogP1.95
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperidin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143974
1-N-(4-fluorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109142764
2-(azepane-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 109140745
N-(5-methyl-1,2-oxazol-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133449
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
2-N-(2-methoxyethyl)-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109133046
1-N-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141275
1-N-tert-butyl-2-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109139692
2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109131011
2-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142553
3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 55481956
1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 108805731

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide (CID 109143981) is 1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide is Cc1cc(NC(=O)C2CC2C(=O)Nc2ccc(N3CCN(C)CC3)cc2)no1.
What is the InChIKey of 1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is ZSGVVUDEZUJCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-13-11-18(23-28-13)22-20(27)17-12-16(17)19(26)21-14-3-5-15(6-4-14)25-9-7-24(2)8-10-25/h3-6,11,16-17H,7-10,12H2,1-2H3,(H,21,26)(H,22,23,27).
What are the key properties of 1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide?
1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109143981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).