(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone

C17H21N5O2 — CID 3235238

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCC2(CC1)CN(c1ncccn1)C2
InChIInChI=1S/C17H21N5O2/c1-12-14(13(2)24-20-12)15(23)21-8-4-17(5-9-21)10-22(11-17)16-18-6-3-7-19-16/h3,6-7H,4-5,8-11H2,1-2H3
InChIKeyKONUELSKRCRRQH-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.82
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone (PubChem CID 3235238) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
PubChem CID3235238
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCC2(CC1)CN(c1ncccn1)C2
InChIInChI=1S/C17H21N5O2/c1-12-14(13(2)24-20-12)15(23)21-8-4-17(5-9-21)10-22(11-17)16-18-6-3-7-19-16/h3,6-7H,4-5,8-11H2,1-2H3
InChIKeyKONUELSKRCRRQH-UHFFFAOYSA-N
XLogP1.82
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone (CID 3235238) is (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone is Cc1noc(C)c1C(=O)N1CCC2(CC1)CN(c1ncccn1)C2.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The InChIKey is KONUELSKRCRRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-14(13(2)24-20-12)15(23)21-8-4-17(5-9-21)10-22(11-17)16-18-6-3-7-19-16/h3,6-7H,4-5,8-11H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone has a molecular weight of 327.39 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone is sourced from PubChem (CID 3235238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).