[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride

C15H20Cl2N4O2 — CID 119651338

IUPAC[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
SMILESCNCC1CCCN1C(=O)c1cc(-c2cccnc2)on1.Cl.Cl
InChIInChI=1S/C15H18N4O2.2ClH/c1-16-10-12-5-3-7-19(12)15(20)13-8-14(21-18-13)11-4-2-6-17-9-11;;/h2,4,6,8-9,12,16H,3,5,7,10H2,1H3;2*1H
InChIKeyWCPNHGSRVKKWJF-UHFFFAOYSA-N
MW359.26 g/mol
LogP2.40
Rot. Bonds4

About [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride

[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride (PubChem CID 119651338) has the molecular formula C15H20Cl2N4O2 and a molecular weight of 359.26 g/mol. Its IUPAC name is [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
PubChem CID119651338
Molecular FormulaC15H20Cl2N4O2
Molecular Weight359.26 g/mol
Exact Mass358.10
IUPAC Name[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
SMILESCNCC1CCCN1C(=O)c1cc(-c2cccnc2)on1.Cl.Cl
InChIInChI=1S/C15H18N4O2.2ClH/c1-16-10-12-5-3-7-19(12)15(20)13-8-14(21-18-13)11-4-2-6-17-9-11;;/h2,4,6,8-9,12,16H,3,5,7,10H2,1H3;2*1H
InChIKeyWCPNHGSRVKKWJF-UHFFFAOYSA-N
XLogP2.40
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 95350860
(2-methylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 22427477
2-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924275
[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 61411316
[2-(methylaminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone;dihydrochloride
CID 119651815
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 119651558
N-methyl-2-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide
CID 87017159
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103121048
(4-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 17253092
3-amino-N-[[1-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578645
(5-phenyl-1,2-oxazol-3-yl)-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 95708141
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone;dihydrochloride
CID 119650832

Frequently Asked Questions

What is the IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride?
The IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride (CID 119651338) is [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride.
What is the SMILES notation for [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride?
The canonical SMILES for [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride is CNCC1CCCN1C(=O)c1cc(-c2cccnc2)on1.Cl.Cl.
What is the InChIKey of [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride?
The InChIKey is WCPNHGSRVKKWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2.2ClH/c1-16-10-12-5-3-7-19(12)15(20)13-8-14(21-18-13)11-4-2-6-17-9-11;;/h2,4,6,8-9,12,16H,3,5,7,10H2,1H3;2*1H.
What are the key properties of [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride?
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride has a molecular weight of 359.26 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride is sourced from PubChem (CID 119651338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).