(5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone

C19H23N5O3 — CID 131687867

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCC2(CC1)CN(c1ncccn1)CCO2
InChIInChI=1S/C19H23N5O3/c25-17(15-12-16(27-22-15)14-2-3-14)23-8-4-19(5-9-23)13-24(10-11-26-19)18-20-6-1-7-21-18/h1,6-7,12,14H,2-5,8-11,13H2
InChIKeyXMWQPSSKONHUTA-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.85
Rot. Bonds3

About (5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 131687867) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
PubChem CID131687867
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCC2(CC1)CN(c1ncccn1)CCO2
InChIInChI=1S/C19H23N5O3/c25-17(15-12-16(27-22-15)14-2-3-14)23-8-4-19(5-9-23)13-24(10-11-26-19)18-20-6-1-7-21-18/h1,6-7,12,14H,2-5,8-11,13H2
InChIKeyXMWQPSSKONHUTA-UHFFFAOYSA-N
XLogP1.85
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

cyclopent-3-en-1-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 97451000
(5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 121184581
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 113250457
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]methanone
CID 95800988
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123624
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methyl-4-phenylpiperidin-1-yl)methanone
CID 119042881
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119258478
2-(cyclopropylmethyl)-8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131686898
[4-(3-methoxypyrazin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 131932874
pyrazin-2-yl-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131662756
(5-cyclopropyl-1,2-oxazol-3-yl)-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97419989
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methoxypyrrolidine-3-carboxylic acid
CID 154735717

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone (CID 131687867) is (5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone is O=C(c1cc(C2CC2)on1)N1CCC2(CC1)CN(c1ncccn1)CCO2.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is XMWQPSSKONHUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c25-17(15-12-16(27-22-15)14-2-3-14)23-8-4-19(5-9-23)13-24(10-11-26-19)18-20-6-1-7-21-18/h1,6-7,12,14H,2-5,8-11,13H2.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 369.43 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 131687867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).