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

C20H25N5O2 — CID 131696490

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-(9-pyrimidin-5-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCCC2(CCN(c3cncnc3)CC2)C1
InChIInChI=1S/C20H25N5O2/c26-19(17-10-18(27-23-17)15-2-3-15)25-7-1-4-20(13-25)5-8-24(9-6-20)16-11-21-14-22-12-16/h10-12,14-15H,1-9,13H2
InChIKeyXOLSYDIUSZIOAM-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.86
Rot. Bonds3

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

(5-cyclopropyl-1,2-oxazol-3-yl)-(9-pyrimidin-5-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone (PubChem CID 131696490) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-(9-pyrimidin-5-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-(9-pyrimidin-5-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone
PubChem CID131696490
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-(9-pyrimidin-5-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCCC2(CCN(c3cncnc3)CC2)C1
InChIInChI=1S/C20H25N5O2/c26-19(17-10-18(27-23-17)15-2-3-15)25-7-1-4-20(13-25)5-8-24(9-6-20)16-11-21-14-22-12-16/h10-12,14-15H,1-9,13H2
InChIKeyXOLSYDIUSZIOAM-UHFFFAOYSA-N
XLogP2.86
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 113250457
3-methylsulfonyl-1-(9-pyrimidin-5-yl-2,9-diazaspiro[5.5]undecan-2-yl)propan-1-one
CID 131696704
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)-3-methoxypyrrolidine-3-carboxylic acid
CID 154735717
2-(cyclopropylmethyl)-8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131686898
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123624
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342906
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63104546
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208217
2-[4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 119041061
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334382

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-(9-pyrimidin-5-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-(9-pyrimidin-5-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone (CID 131696490) is (5-cyclopropyl-1,2-oxazol-3-yl)-(9-pyrimidin-5-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-(9-pyrimidin-5-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-(9-pyrimidin-5-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone is O=C(c1cc(C2CC2)on1)N1CCCC2(CCN(c3cncnc3)CC2)C1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-(9-pyrimidin-5-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone?
The InChIKey is XOLSYDIUSZIOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-19(17-10-18(27-23-17)15-2-3-15)25-7-1-4-20(13-25)5-8-24(9-6-20)16-11-21-14-22-12-16/h10-12,14-15H,1-9,13H2.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-(9-pyrimidin-5-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-(9-pyrimidin-5-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone has a molecular weight of 367.45 g/mol, XLogP of 2.86, 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)-(9-pyrimidin-5-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone is sourced from PubChem (CID 131696490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).