3-methyl-7-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C18H21N3O3 — CID 56898795

IUPAC3-methyl-7-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCc1ccc(-c2cc(CN3CCC4(C3)CN(C)C(=O)O4)on2)cc1
InChIInChI=1S/C18H21N3O3/c1-13-3-5-14(6-4-13)16-9-15(24-19-16)10-21-8-7-18(12-21)11-20(2)17(22)23-18/h3-6,9H,7-8,10-12H2,1-2H3
InChIKeyPVHKJFSBCFYHQK-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.68
Rot. Bonds3

About 3-methyl-7-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

3-methyl-7-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 56898795) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-methyl-7-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name3-methyl-7-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID56898795
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-methyl-7-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCc1ccc(-c2cc(CN3CCC4(C3)CN(C)C(=O)O4)on2)cc1
InChIInChI=1S/C18H21N3O3/c1-13-3-5-14(6-4-13)16-9-15(24-19-16)10-21-8-7-18(12-21)11-20(2)17(22)23-18/h3-6,9H,7-8,10-12H2,1-2H3
InChIKeyPVHKJFSBCFYHQK-UHFFFAOYSA-N
XLogP2.68
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-7-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
CID 120771845
(5R)-7-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95868557
5-(azocan-1-ylmethyl)-3-(4-methylphenyl)-1,2-oxazole
CID 55648727
(5S)-3-methyl-7-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 99956366
3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 43348712
(5S)-9-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95713030
(5R)-7-[[2-(benzylamino)pyrimidin-5-yl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95897184
[(3S)-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-3-propylpiperidin-3-yl]methanol
CID 97122333
3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 36921264
(5S)-7-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95717715
7-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 77081415
(1R,3S)-3-methoxy-7-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-7-azaspiro[3.5]nonan-1-ol
CID 70746644

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 3-methyl-7-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 56898795) is 3-methyl-7-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 3-methyl-7-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 3-methyl-7-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is Cc1ccc(-c2cc(CN3CCC4(C3)CN(C)C(=O)O4)on2)cc1.
What is the InChIKey of 3-methyl-7-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is PVHKJFSBCFYHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-3-5-14(6-4-13)16-9-15(24-19-16)10-21-8-7-18(12-21)11-20(2)17(22)23-18/h3-6,9H,7-8,10-12H2,1-2H3.
What are the key properties of 3-methyl-7-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
3-methyl-7-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 327.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 56898795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).