2-cyclopropyl-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one

C19H27N3O4 — CID 70752399

IUPAC2-cyclopropyl-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCc1c(C(=O)N2CCCC3(CCC(=O)N(C4CC4)C3)C2)noc1C
InChIInChI=1S/C19H27N3O4/c1-13-15(10-25-2)17(20-26-13)18(24)21-9-3-7-19(11-21)8-6-16(23)22(12-19)14-4-5-14/h14H,3-12H2,1-2H3
InChIKeySBBCTRCAGDMGRZ-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.14
Rot. Bonds4

About 2-cyclopropyl-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70752399) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-cyclopropyl-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70752399
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name2-cyclopropyl-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCc1c(C(=O)N2CCCC3(CCC(=O)N(C4CC4)C3)C2)noc1C
InChIInChI=1S/C19H27N3O4/c1-13-15(10-25-2)17(20-26-13)18(24)21-9-3-7-19(11-21)8-6-16(23)22(12-19)14-4-5-14/h14H,3-12H2,1-2H3
InChIKeySBBCTRCAGDMGRZ-UHFFFAOYSA-N
XLogP2.14
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 110159724
2-cyclopropyl-8-(5-methyl-1-propylpyrazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70744895
2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70724597
(6S)-2-cyclopropyl-8-(3-ethylsulfanylpropanoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97114533
2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72909555
(6S)-2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97142136
6-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136907823
2-cyclopropyl-8-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72879577
2-cyclopropyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70754239
2-cyclopropyl-8-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72866096
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 70716299
[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70726176

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70752399) is 2-cyclopropyl-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one is COCc1c(C(=O)N2CCCC3(CCC(=O)N(C4CC4)C3)C2)noc1C.
What is the InChIKey of 2-cyclopropyl-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is SBBCTRCAGDMGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-13-15(10-25-2)17(20-26-13)18(24)21-9-3-7-19(11-21)8-6-16(23)22(12-19)14-4-5-14/h14H,3-12H2,1-2H3.
What are the key properties of 2-cyclopropyl-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 361.44 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70752399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).