(3R)-3-hydroxy-N-[3-(1,3-thiazol-4-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

C18H21N3O3S — CID 97285803

IUPAC(3R)-3-hydroxy-N-[3-(1,3-thiazol-4-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1cccc(-c2cscn2)c1)N1CCC2(CC1)C[C@@H](O)CO2
InChIInChI=1S/C18H21N3O3S/c22-15-9-18(24-10-15)4-6-21(7-5-18)17(23)20-14-3-1-2-13(8-14)16-11-25-12-19-16/h1-3,8,11-12,15,22H,4-7,9-10H2,(H,20,23)/t15-/m1/s1
InChIKeyOIDLPOIQRZFTDZ-OAHLLOKOSA-N
MW359.45 g/mol
LogP2.96
Rot. Bonds2

About (3R)-3-hydroxy-N-[3-(1,3-thiazol-4-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

(3R)-3-hydroxy-N-[3-(1,3-thiazol-4-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 97285803) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-[3-(1,3-thiazol-4-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-[3-(1,3-thiazol-4-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID97285803
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name(3R)-3-hydroxy-N-[3-(1,3-thiazol-4-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1cccc(-c2cscn2)c1)N1CCC2(CC1)C[C@@H](O)CO2
InChIInChI=1S/C18H21N3O3S/c22-15-9-18(24-10-15)4-6-21(7-5-18)17(23)20-14-3-1-2-13(8-14)16-11-25-12-19-16/h1-3,8,11-12,15,22H,4-7,9-10H2,(H,20,23)/t15-/m1/s1
InChIKeyOIDLPOIQRZFTDZ-OAHLLOKOSA-N
XLogP2.96
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-1-oxaspiro[4.4]nonan-3-yl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 97437563
1-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 97437562
1-(4-hydroxycyclohexyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 72847558
(3S)-N-(2-fluoro-3-pyridinyl)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97273530
1-ethyl-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 42528190
(3S)-3-hydroxy-N-[4-methoxy-3-(methylcarbamoyl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97282135
(3R)-3-hydroxy-N-[4-(5-methyltetrazol-1-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97286410
1-(4-chlorophenyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 135376255
1-(pyridin-4-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 42517113
N-[3-(1,3-thiazol-4-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 74545212
N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide
CID 60615827
3,4-dimethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]benzamide
CID 29088076

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-[3-(1,3-thiazol-4-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of (3R)-3-hydroxy-N-[3-(1,3-thiazol-4-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (CID 97285803) is (3R)-3-hydroxy-N-[3-(1,3-thiazol-4-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for (3R)-3-hydroxy-N-[3-(1,3-thiazol-4-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for (3R)-3-hydroxy-N-[3-(1,3-thiazol-4-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is O=C(Nc1cccc(-c2cscn2)c1)N1CCC2(CC1)C[C@@H](O)CO2.
What is the InChIKey of (3R)-3-hydroxy-N-[3-(1,3-thiazol-4-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is OIDLPOIQRZFTDZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-15-9-18(24-10-15)4-6-21(7-5-18)17(23)20-14-3-1-2-13(8-14)16-11-25-12-19-16/h1-3,8,11-12,15,22H,4-7,9-10H2,(H,20,23)/t15-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-[3-(1,3-thiazol-4-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
(3R)-3-hydroxy-N-[3-(1,3-thiazol-4-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-[3-(1,3-thiazol-4-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 97285803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).