(5-cyclopropyl-1,3-oxazol-4-yl)-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]methanone

C15H20N2O4 — CID 72886665

IUPAC(5-cyclopropyl-1,3-oxazol-4-yl)-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
SMILESO=C(c1ncoc1C1CC1)N1CCC2(CC1)[C@H](O)C[C@@H]2O
InChIInChI=1S/C15H20N2O4/c18-10-7-11(19)15(10)3-5-17(6-4-15)14(20)12-13(9-1-2-9)21-8-16-12/h8-11,18-19H,1-7H2/t10-,11+
InChIKeySSCJIGOOPFBTNB-PHIMTYICSA-N
MW292.33 g/mol
LogP0.90
Rot. Bonds2

About (5-cyclopropyl-1,3-oxazol-4-yl)-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]methanone

(5-cyclopropyl-1,3-oxazol-4-yl)-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]methanone (PubChem CID 72886665) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is (5-cyclopropyl-1,3-oxazol-4-yl)-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,3-oxazol-4-yl)-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
PubChem CID72886665
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name(5-cyclopropyl-1,3-oxazol-4-yl)-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
SMILESO=C(c1ncoc1C1CC1)N1CCC2(CC1)[C@H](O)C[C@@H]2O
InChIInChI=1S/C15H20N2O4/c18-10-7-11(19)15(10)3-5-17(6-4-15)14(20)12-13(9-1-2-9)21-8-16-12/h8-11,18-19H,1-7H2/t10-,11+
InChIKeySSCJIGOOPFBTNB-PHIMTYICSA-N
XLogP0.90
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

[4-(1-adamantyl)piperazin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone
CID 56908974
1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-phenoxypiperidine-4-carboxylic acid
CID 56885721
1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56901662
(5-cyclopropyl-1,3-oxazol-4-yl)-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 72859720
[(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 96580317
[3-(oxan-4-yl)pyrrolidin-1-yl]-(5-piperidin-4-yl-1,3-oxazol-4-yl)methanone
CID 167879614
5-[1-[(1S,2R,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylic acid
CID 166313841
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone
CID 70728098
N-(1-carbamoylcyclohexyl)-5-cyclopropyl-1,3-oxazole-4-carboxamide
CID 154736486
[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-ethyl-4-pyridinyl)methanone
CID 70714072
1-[(4aR,7aS)-4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]propan-1-one
CID 70707372
(5-cyclopropyl-1,3-oxazol-4-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 96581034

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,3-oxazol-4-yl)-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,3-oxazol-4-yl)-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]methanone (CID 72886665) is (5-cyclopropyl-1,3-oxazol-4-yl)-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,3-oxazol-4-yl)-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,3-oxazol-4-yl)-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]methanone is O=C(c1ncoc1C1CC1)N1CCC2(CC1)[C@H](O)C[C@@H]2O.
What is the InChIKey of (5-cyclopropyl-1,3-oxazol-4-yl)-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]methanone?
The InChIKey is SSCJIGOOPFBTNB-PHIMTYICSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-10-7-11(19)15(10)3-5-17(6-4-15)14(20)12-13(9-1-2-9)21-8-16-12/h8-11,18-19H,1-7H2/t10-,11+.
What are the key properties of (5-cyclopropyl-1,3-oxazol-4-yl)-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]methanone?
(5-cyclopropyl-1,3-oxazol-4-yl)-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]methanone has a molecular weight of 292.33 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,3-oxazol-4-yl)-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]methanone is sourced from PubChem (CID 72886665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).