3,5-dimethyl-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl-1,2-oxazole-4-carboxamide;hydrochloride

C19H24ClN3O3 — CID 155835554

IUPAC3,5-dimethyl-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl-1,2-oxazole-4-carboxamide;hydrochloride
SMILESCc1noc(C)c1C(=O)NC1CC2(CCNCC2)Oc2ccccc21.Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-12-17(13(2)25-22-12)18(23)21-15-11-19(7-9-20-10-8-19)24-16-6-4-3-5-14(15)16;/h3-6,15,20H,7-11H2,1-2H3,(H,21,23);1H
InChIKeyDSLQKNKHGIKGGW-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.09
Rot. Bonds2

About 3,5-dimethyl-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl-1,2-oxazole-4-carboxamide;hydrochloride

3,5-dimethyl-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl-1,2-oxazole-4-carboxamide;hydrochloride (PubChem CID 155835554) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 3,5-dimethyl-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl-1,2-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl-1,2-oxazole-4-carboxamide;hydrochloride
PubChem CID155835554
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name3,5-dimethyl-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl-1,2-oxazole-4-carboxamide;hydrochloride
SMILESCc1noc(C)c1C(=O)NC1CC2(CCNCC2)Oc2ccccc21.Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-12-17(13(2)25-22-12)18(23)21-15-11-19(7-9-20-10-8-19)24-16-6-4-3-5-14(15)16;/h3-6,15,20H,7-11H2,1-2H3,(H,21,23);1H
InChIKeyDSLQKNKHGIKGGW-UHFFFAOYSA-N
XLogP3.09
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl-1,2-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of 3,5-dimethyl-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl-1,2-oxazole-4-carboxamide;hydrochloride (CID 155835554) is 3,5-dimethyl-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl-1,2-oxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl-1,2-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for 3,5-dimethyl-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl-1,2-oxazole-4-carboxamide;hydrochloride is Cc1noc(C)c1C(=O)NC1CC2(CCNCC2)Oc2ccccc21.Cl.
What is the InChIKey of 3,5-dimethyl-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl-1,2-oxazole-4-carboxamide;hydrochloride?
The InChIKey is DSLQKNKHGIKGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3.ClH/c1-12-17(13(2)25-22-12)18(23)21-15-11-19(7-9-20-10-8-19)24-16-6-4-3-5-14(15)16;/h3-6,15,20H,7-11H2,1-2H3,(H,21,23);1H.
What are the key properties of 3,5-dimethyl-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl-1,2-oxazole-4-carboxamide;hydrochloride?
3,5-dimethyl-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl-1,2-oxazole-4-carboxamide;hydrochloride has a molecular weight of 377.87 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl-1,2-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 155835554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).