4-(cyclopropylmethyl)-5-methyl-9-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C17H23N3O3S — CID 118738913

IUPAC4-(cyclopropylmethyl)-5-methyl-9-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1N(CC2CC2)C(=O)COC12CCN(C(=O)c1cscn1)CC2
InChIInChI=1S/C17H23N3O3S/c1-12-17(23-9-15(21)20(12)8-13-2-3-13)4-6-19(7-5-17)16(22)14-10-24-11-18-14/h10-13H,2-9H2,1H3
InChIKeyABOGTZABNAVEHB-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.78
Rot. Bonds3

About 4-(cyclopropylmethyl)-5-methyl-9-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-(cyclopropylmethyl)-5-methyl-9-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118738913) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-5-methyl-9-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-5-methyl-9-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118738913
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name4-(cyclopropylmethyl)-5-methyl-9-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1N(CC2CC2)C(=O)COC12CCN(C(=O)c1cscn1)CC2
InChIInChI=1S/C17H23N3O3S/c1-12-17(23-9-15(21)20(12)8-13-2-3-13)4-6-19(7-5-17)16(22)14-10-24-11-18-14/h10-13H,2-9H2,1H3
InChIKeyABOGTZABNAVEHB-UHFFFAOYSA-N
XLogP1.78
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4aR,7aR)-4-(cyclopentylmethyl)-6-(1,3-thiazole-4-carbonyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 97508901
9-(Cyclopropylmethyl)-5-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118743645
5,9-Dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118743664
(3-Morpholin-4-ylpiperidin-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 45173605
9-(3-Fluoropropanoyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131690956
[9-(Cyclopentylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155823690
[9-(Oxolan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155840288
[9-(Cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone
CID 97385625
9-Ethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97392240
9-(Cyclopropylmethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471457
9-(Cyclopropanecarbonyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471462
(1-Methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-(1,3-thiazol-4-yl)methanone
CID 97491909

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-5-methyl-9-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(cyclopropylmethyl)-5-methyl-9-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118738913) is 4-(cyclopropylmethyl)-5-methyl-9-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-5-methyl-9-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(cyclopropylmethyl)-5-methyl-9-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC1N(CC2CC2)C(=O)COC12CCN(C(=O)c1cscn1)CC2.
What is the InChIKey of 4-(cyclopropylmethyl)-5-methyl-9-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ABOGTZABNAVEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-12-17(23-9-15(21)20(12)8-13-2-3-13)4-6-19(7-5-17)16(22)14-10-24-11-18-14/h10-13H,2-9H2,1H3.
What are the key properties of 4-(cyclopropylmethyl)-5-methyl-9-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-(cyclopropylmethyl)-5-methyl-9-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 349.46 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-5-methyl-9-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118738913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).