N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide

C21H27N3O4 — CID 135120437

IUPACN-[[1-(methoxymethyl)cyclobutyl]methyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCOCC1(CNC(=O)c2c(N3CCOCC3)noc2-c2ccccc2)CCC1
InChIInChI=1S/C21H27N3O4/c1-26-15-21(8-5-9-21)14-22-20(25)17-18(16-6-3-2-4-7-16)28-23-19(17)24-10-12-27-13-11-24/h2-4,6-7H,5,8-15H2,1H3,(H,22,25)
InChIKeyLCUWVOSKCDLYMI-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.72
Rot. Bonds7

About N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide

N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 135120437) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(methoxymethyl)cyclobutyl]methyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
PubChem CID135120437
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[[1-(methoxymethyl)cyclobutyl]methyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCOCC1(CNC(=O)c2c(N3CCOCC3)noc2-c2ccccc2)CCC1
InChIInChI=1S/C21H27N3O4/c1-26-15-21(8-5-9-21)14-22-20(25)17-18(16-6-3-2-4-7-16)28-23-19(17)24-10-12-27-13-11-24/h2-4,6-7H,5,8-15H2,1H3,(H,22,25)
InChIKeyLCUWVOSKCDLYMI-UHFFFAOYSA-N
XLogP2.72
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(hydroxymethyl)cyclohexyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
CID 135115347
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 120890644
N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
CID 135119391
2-azaspiro[4.6]undecan-2-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
CID 135092562
3-morpholin-4-yl-5-phenyl-N-[(3S)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
CID 135105344
N-methyl-3-morpholin-4-yl-N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-4-carboxamide
CID 137337355
(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
CID 135118204
5-(4-chlorophenyl)-3-morpholin-4-yl-1,2-oxazole-4-carboxylic acid
CID 163314828
N-(1-methyl-6-oxopiperidin-3-yl)-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
CID 135119979
(4-aminopiperidin-1-yl)-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
CID 135087587
3-methyl-5-phenyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,2-oxazole-4-carboxamide
CID 75455121
5-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide
CID 135094494

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide (CID 135120437) is N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide is COCC1(CNC(=O)c2c(N3CCOCC3)noc2-c2ccccc2)CCC1.
What is the InChIKey of N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is LCUWVOSKCDLYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-26-15-21(8-5-9-21)14-22-20(25)17-18(16-6-3-2-4-7-16)28-23-19(17)24-10-12-27-13-11-24/h2-4,6-7H,5,8-15H2,1H3,(H,22,25).
What are the key properties of N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide?
N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 135120437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).