N-methyl-3-morpholin-4-yl-N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-4-carboxamide

C20H25N3O4 — CID 137337355

IUPACN-methyl-3-morpholin-4-yl-N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCN(CC1CCCO1)C(=O)c1c(N2CCOCC2)noc1-c1ccccc1
InChIInChI=1S/C20H25N3O4/c1-22(14-16-8-5-11-26-16)20(24)17-18(15-6-3-2-4-7-15)27-21-19(17)23-9-12-25-13-10-23/h2-4,6-7,16H,5,8-14H2,1H3
InChIKeyLXLZHRNTIKUXLV-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.43
Rot. Bonds5

About N-methyl-3-morpholin-4-yl-N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-4-carboxamide

N-methyl-3-morpholin-4-yl-N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 137337355) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-methyl-3-morpholin-4-yl-N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-3-morpholin-4-yl-N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-4-carboxamide
PubChem CID137337355
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-methyl-3-morpholin-4-yl-N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCN(CC1CCCO1)C(=O)c1c(N2CCOCC2)noc1-c1ccccc1
InChIInChI=1S/C20H25N3O4/c1-22(14-16-8-5-11-26-16)20(24)17-18(15-6-3-2-4-7-15)27-21-19(17)23-9-12-25-13-10-23/h2-4,6-7,16H,5,8-14H2,1H3
InChIKeyLXLZHRNTIKUXLV-UHFFFAOYSA-N
XLogP2.43
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-morpholin-4-yl-5-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
CID 135108657
N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
CID 135119391
[2-(aminomethyl)morpholin-4-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone;hydrochloride
CID 154916307
3-[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid;formic acid
CID 171317391
(4-aminopiperidin-1-yl)-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
CID 135087587
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
CID 135099423
N-[(3S)-1-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]acetamide
CID 135088868
3-morpholin-4-yl-5-phenyl-N-[(3S)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
CID 135105344
N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
CID 135120437
N-(1-methyl-6-oxopiperidin-3-yl)-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
CID 135119979
N-methyl-5-(morpholin-4-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95216881
N-[1-(hydroxymethyl)cyclohexyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
CID 135115347

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-morpholin-4-yl-N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-methyl-3-morpholin-4-yl-N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-4-carboxamide (CID 137337355) is N-methyl-3-morpholin-4-yl-N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-methyl-3-morpholin-4-yl-N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-methyl-3-morpholin-4-yl-N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-4-carboxamide is CN(CC1CCCO1)C(=O)c1c(N2CCOCC2)noc1-c1ccccc1.
What is the InChIKey of N-methyl-3-morpholin-4-yl-N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is LXLZHRNTIKUXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-22(14-16-8-5-11-26-16)20(24)17-18(15-6-3-2-4-7-15)27-21-19(17)23-9-12-25-13-10-23/h2-4,6-7,16H,5,8-14H2,1H3.
What are the key properties of N-methyl-3-morpholin-4-yl-N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-4-carboxamide?
N-methyl-3-morpholin-4-yl-N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-morpholin-4-yl-N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 137337355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).