9-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one

C20H29N5O3 — CID 70713982

IUPAC9-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCc1nc2c(N3CCC4(CCC(=O)N(CCCOC)C4)CC3)ncnc2o1
InChIInChI=1S/C20H29N5O3/c1-3-15-23-17-18(21-14-22-19(17)28-15)24-10-7-20(8-11-24)6-5-16(26)25(13-20)9-4-12-27-2/h14H,3-13H2,1-2H3
InChIKeySEOOJJWCJWJKHS-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.43
Rot. Bonds6

About 9-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one

9-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70713982) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 9-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70713982
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name9-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCc1nc2c(N3CCC4(CCC(=O)N(CCCOC)C4)CC3)ncnc2o1
InChIInChI=1S/C20H29N5O3/c1-3-15-23-17-18(21-14-22-19(17)28-15)24-10-7-20(8-11-24)6-5-16(26)25(13-20)9-4-12-27-2/h14H,3-13H2,1-2H3
InChIKeySEOOJJWCJWJKHS-UHFFFAOYSA-N
XLogP2.43
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72877688
2-(3-methoxypropyl)-9-(5-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70744940
8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 70776074
2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxamide
CID 70727411
8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70788480
(6S)-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95861690
(6R)-2-(3-methoxypropyl)-8-pyrimidin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 95867371
2-(3-methoxypropyl)-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70765643
(1R,5S)-3-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133131910
(6S)-8-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870181
2-ethyl-7-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-[1,3]oxazolo[5,4-d]pyrimidine
CID 97454114
9-[(4-ethoxyphenyl)methyl]-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70716832

Frequently Asked Questions

What is the IUPAC name of 9-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70713982) is 9-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one is CCc1nc2c(N3CCC4(CCC(=O)N(CCCOC)C4)CC3)ncnc2o1.
What is the InChIKey of 9-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is SEOOJJWCJWJKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-3-15-23-17-18(21-14-22-19(17)28-15)24-10-7-20(8-11-24)6-5-16(26)25(13-20)9-4-12-27-2/h14H,3-13H2,1-2H3.
What are the key properties of 9-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 387.48 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70713982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).