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

C21H26N4O3 — CID 109143974

IUPAC1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperidin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCc1cc(NC(=O)C2CC2C(=O)Nc2ccc(N3CCC(C)CC3)cc2)no1
InChIInChI=1S/C21H26N4O3/c1-13-7-9-25(10-8-13)16-5-3-15(4-6-16)22-20(26)17-12-18(17)21(27)23-19-11-14(2)28-24-19/h3-6,11,13,17-18H,7-10,12H2,1-2H3,(H,22,26)(H,23,24,27)
InChIKeyNROZAAHCHKHFMX-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.43
Rot. Bonds5

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

1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperidin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109143974) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperidin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperidin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
PubChem CID109143974
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperidin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCc1cc(NC(=O)C2CC2C(=O)Nc2ccc(N3CCC(C)CC3)cc2)no1
InChIInChI=1S/C21H26N4O3/c1-13-7-9-25(10-8-13)16-5-3-15(4-6-16)22-20(26)17-12-18(17)21(27)23-19-11-14(2)28-24-19/h3-6,11,13,17-18H,7-10,12H2,1-2H3,(H,22,26)(H,23,24,27)
InChIKeyNROZAAHCHKHFMX-UHFFFAOYSA-N
XLogP3.43
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143981
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109270345
2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine
CID 112878930
2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109131011
N-(5-methyl-1,2-oxazol-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133449
2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2862512
1-N-tert-butyl-2-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109139692
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150357
2-N-cycloheptyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109139807
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]oxane-4-carboxamide
CID 112990399
cis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 2166198

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperidin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperidin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide (CID 109143974) is 1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperidin-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-methylpiperidin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperidin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide is Cc1cc(NC(=O)C2CC2C(=O)Nc2ccc(N3CCC(C)CC3)cc2)no1.
What is the InChIKey of 1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperidin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is NROZAAHCHKHFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-13-7-9-25(10-8-13)16-5-3-15(4-6-16)22-20(26)17-12-18(17)21(27)23-19-11-14(2)28-24-19/h3-6,11,13,17-18H,7-10,12H2,1-2H3,(H,22,26)(H,23,24,27).
What are the key properties of 1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperidin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide?
1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperidin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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-methylpiperidin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109143974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).