4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(2-pyridin-2-ylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C26H28N4O3S — CID 134810845

IUPAC4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(2-pyridin-2-ylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(CN2C(=O)OC3(CCN(C(=O)Cc4ccccn4)CC3)C2(C)c2ccccc2)cs1
InChIInChI=1S/C26H28N4O3S/c1-19-28-22(18-34-19)17-30-24(32)33-26(25(30,2)20-8-4-3-5-9-20)11-14-29(15-12-26)23(31)16-21-10-6-7-13-27-21/h3-10,13,18H,11-12,14-17H2,1-2H3
InChIKeyHNBVZLYMXYDZKG-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.32
Rot. Bonds5

About 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(2-pyridin-2-ylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(2-pyridin-2-ylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 134810845) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(2-pyridin-2-ylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(2-pyridin-2-ylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID134810845
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC Name4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(2-pyridin-2-ylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(CN2C(=O)OC3(CCN(C(=O)Cc4ccccn4)CC3)C2(C)c2ccccc2)cs1
InChIInChI=1S/C26H28N4O3S/c1-19-28-22(18-34-19)17-30-24(32)33-26(25(30,2)20-8-4-3-5-9-20)11-14-29(15-12-26)23(31)16-21-10-6-7-13-27-21/h3-10,13,18H,11-12,14-17H2,1-2H3
InChIKeyHNBVZLYMXYDZKG-UHFFFAOYSA-N
XLogP4.32
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(2-pyridin-2-ylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(2-pyridin-2-ylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 134810845) is 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(2-pyridin-2-ylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(2-pyridin-2-ylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(2-pyridin-2-ylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1nc(CN2C(=O)OC3(CCN(C(=O)Cc4ccccn4)CC3)C2(C)c2ccccc2)cs1.
What is the InChIKey of 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(2-pyridin-2-ylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is HNBVZLYMXYDZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-19-28-22(18-34-19)17-30-24(32)33-26(25(30,2)20-8-4-3-5-9-20)11-14-29(15-12-26)23(31)16-21-10-6-7-13-27-21/h3-10,13,18H,11-12,14-17H2,1-2H3.
What are the key properties of 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(2-pyridin-2-ylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(2-pyridin-2-ylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 476.60 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(2-pyridin-2-ylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134810845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).