N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C18H21N5O3 — CID 109139223

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)C2CC2C(=O)N2CCN(c3ccccn3)CC2)no1
InChIInChI=1S/C18H21N5O3/c1-12-10-15(21-26-12)20-17(24)13-11-14(13)18(25)23-8-6-22(7-9-23)16-4-2-3-5-19-16/h2-5,10,13-14H,6-9,11H2,1H3,(H,20,21,24)
InChIKeyDBXHOTHXYQAMJQ-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.30
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109139223) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109139223
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)C2CC2C(=O)N2CCN(c3ccccn3)CC2)no1
InChIInChI=1S/C18H21N5O3/c1-12-10-15(21-26-12)20-17(24)13-11-14(13)18(25)23-8-6-22(7-9-23)16-4-2-3-5-19-16/h2-5,10,13-14H,6-9,11H2,1H3,(H,20,21,24)
InChIKeyDBXHOTHXYQAMJQ-UHFFFAOYSA-N
XLogP1.30
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 109137578
[2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109133323
N-[(2-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109135176
N-(pyridin-4-ylmethyl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109137199
N-(2-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109139236
N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138175
1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143981
[4-(methylamino)oxolan-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 66267143
N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109139237
5-methyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-3-amine
CID 112863359
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 95588003
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 N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 109139223) is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is Cc1cc(NC(=O)C2CC2C(=O)N2CCN(c3ccccn3)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is DBXHOTHXYQAMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-12-10-15(21-26-12)20-17(24)13-11-14(13)18(25)23-8-6-22(7-9-23)16-4-2-3-5-19-16/h2-5,10,13-14H,6-9,11H2,1H3,(H,20,21,24).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109139223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).