1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-pyrimidin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane

C18H25N5O2 — CID 97396334

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-pyrimidin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCc1noc(C)c1CN1CCOCC12CCN(c1ncccn1)CC2
InChIInChI=1S/C18H25N5O2/c1-14-16(15(2)25-21-14)12-23-10-11-24-13-18(23)4-8-22(9-5-18)17-19-6-3-7-20-17/h3,6-7H,4-5,8-13H2,1-2H3
InChIKeyGKKATDRZDGKSMG-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.95
Rot. Bonds3

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-pyrimidin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-pyrimidin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 97396334) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-pyrimidin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-pyrimidin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID97396334
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-pyrimidin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCc1noc(C)c1CN1CCOCC12CCN(c1ncccn1)CC2
InChIInChI=1S/C18H25N5O2/c1-14-16(15(2)25-21-14)12-23-10-11-24-13-18(23)4-8-22(9-5-18)17-19-6-3-7-20-17/h3,6-7H,4-5,8-13H2,1-2H3
InChIKeyGKKATDRZDGKSMG-UHFFFAOYSA-N
XLogP1.95
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-pyrimidin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-pyrimidin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane (CID 97396334) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-pyrimidin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-pyrimidin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-pyrimidin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane is Cc1noc(C)c1CN1CCOCC12CCN(c1ncccn1)CC2.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-pyrimidin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is GKKATDRZDGKSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14-16(15(2)25-21-14)12-23-10-11-24-13-18(23)4-8-22(9-5-18)17-19-6-3-7-20-17/h3,6-7H,4-5,8-13H2,1-2H3.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-pyrimidin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-pyrimidin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 343.43 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-pyrimidin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97396334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).