(3-hydroxyphenyl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone

C20H25N3O3S — CID 97409238

IUPAC(3-hydroxyphenyl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCc1nc(CN2CCOCC23CCN(C(=O)c2cccc(O)c2)CC3)cs1
InChIInChI=1S/C20H25N3O3S/c1-15-21-17(13-27-15)12-23-9-10-26-14-20(23)5-7-22(8-6-20)19(25)16-3-2-4-18(24)11-16/h2-4,11,13,24H,5-10,12,14H2,1H3
InChIKeyVZVCSFCUBBEPQC-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.66
Rot. Bonds3

About (3-hydroxyphenyl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone

(3-hydroxyphenyl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 97409238) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is (3-hydroxyphenyl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyphenyl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID97409238
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name(3-hydroxyphenyl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCc1nc(CN2CCOCC23CCN(C(=O)c2cccc(O)c2)CC3)cs1
InChIInChI=1S/C20H25N3O3S/c1-15-21-17(13-27-15)12-23-9-10-26-14-20(23)5-7-22(8-6-20)19(25)16-3-2-4-18(24)11-16/h2-4,11,13,24H,5-10,12,14H2,1H3
InChIKeyVZVCSFCUBBEPQC-UHFFFAOYSA-N
XLogP2.66
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]-phenylmethanone
CID 134070367
2-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol
CID 97409237
(4-fluorophenyl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]methanone
CID 134074094
(3-methylphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 38470610
(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-(3-fluorophenyl)methanone
CID 97491866
[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]-pyridin-2-ylmethanone
CID 134072670
1-[(4S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]-2-thiophen-2-ylethanone
CID 97397625
(3-fluorophenyl)-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97491878
(3-fluorophenyl)-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 97412413
(3,4-dimethylphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 51308012
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone
CID 81097779
2-methoxy-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 134072667

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (3-hydroxyphenyl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 97409238) is (3-hydroxyphenyl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (3-hydroxyphenyl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (3-hydroxyphenyl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone is Cc1nc(CN2CCOCC23CCN(C(=O)c2cccc(O)c2)CC3)cs1.
What is the InChIKey of (3-hydroxyphenyl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is VZVCSFCUBBEPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-15-21-17(13-27-15)12-23-9-10-26-14-20(23)5-7-22(8-6-20)19(25)16-3-2-4-18(24)11-16/h2-4,11,13,24H,5-10,12,14H2,1H3.
What are the key properties of (3-hydroxyphenyl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone?
(3-hydroxyphenyl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 387.51 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 97409238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).