(5-cyclopropyl-1,2-oxazol-3-yl)-[1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone

C17H19N5O3 — CID 131684242

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone
SMILESCn1cc(C(=O)N2CCC23CN(C(=O)c2cc(C4CC4)on2)C3)cn1
InChIInChI=1S/C17H19N5O3/c1-20-8-12(7-18-20)15(23)22-5-4-17(22)9-21(10-17)16(24)13-6-14(25-19-13)11-2-3-11/h6-8,11H,2-5,9-10H2,1H3
InChIKeyABPXANBYFHFJFH-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.03
Rot. Bonds3

About (5-cyclopropyl-1,2-oxazol-3-yl)-[1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-[1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone (PubChem CID 131684242) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone
PubChem CID131684242
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone
SMILESCn1cc(C(=O)N2CCC23CN(C(=O)c2cc(C4CC4)on2)C3)cn1
InChIInChI=1S/C17H19N5O3/c1-20-8-12(7-18-20)15(23)22-5-4-17(22)9-21(10-17)16(24)13-6-14(25-19-13)11-2-3-11/h6-8,11H,2-5,9-10H2,1H3
InChIKeyABPXANBYFHFJFH-UHFFFAOYSA-N
XLogP1.03
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
CID 131684468
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 113250457
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119258478
(5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 121184581
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123624
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methoxypyrrolidine-3-carboxylic acid
CID 154735717
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methanone
CID 126947170
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63104546
(5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 124864452
8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131686885
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methyl-4-phenylpiperidin-1-yl)methanone
CID 119042881
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 71805699

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone (CID 131684242) is (5-cyclopropyl-1,2-oxazol-3-yl)-[1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone is Cn1cc(C(=O)N2CCC23CN(C(=O)c2cc(C4CC4)on2)C3)cn1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone?
The InChIKey is ABPXANBYFHFJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-20-8-12(7-18-20)15(23)22-5-4-17(22)9-21(10-17)16(24)13-6-14(25-19-13)11-2-3-11/h6-8,11H,2-5,9-10H2,1H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone has a molecular weight of 341.37 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone is sourced from PubChem (CID 131684242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).