(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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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).