(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone

C19H26N4O2S — CID 3233335

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC2(CCCN(Cc3nccs3)C2)CC1
InChIInChI=1S/C19H26N4O2S/c1-14-17(15(2)25-21-14)18(24)23-9-5-19(6-10-23)4-3-8-22(13-19)12-16-20-7-11-26-16/h7,11H,3-6,8-10,12-13H2,1-2H3
InChIKeyJWSLBKYHAJZLFW-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.27
Rot. Bonds3

About (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 3233335) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID3233335
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC2(CCCN(Cc3nccs3)C2)CC1
InChIInChI=1S/C19H26N4O2S/c1-14-17(15(2)25-21-14)18(24)23-9-5-19(6-10-23)4-3-8-22(13-19)12-16-20-7-11-26-16/h7,11H,3-6,8-10,12-13H2,1-2H3
InChIKeyJWSLBKYHAJZLFW-UHFFFAOYSA-N
XLogP3.27
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 3234594
3,5-dimethyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,2-oxazole
CID 134074834
3,5-dimethyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,2-oxazole
CID 97385375
2-[[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 131645302
(6-methyl-3-pyridinyl)-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97450065
(5S)-N-propan-2-yl-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97482915
1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3233453
(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3233137
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131648152
[5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methyl acetate
CID 3870853
(3,3-difluorocyclobutyl)-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131685089
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131684482

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 3233335) is (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone is Cc1noc(C)c1C(=O)N1CCC2(CCCN(Cc3nccs3)C2)CC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is JWSLBKYHAJZLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-14-17(15(2)25-21-14)18(24)23-9-5-19(6-10-23)4-3-8-22(13-19)12-16-20-7-11-26-16/h7,11H,3-6,8-10,12-13H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 374.51 g/mol, XLogP of 3.27, 3 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-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 3233335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).