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

C19H25N3O3S — CID 51125025

IUPACN-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCSC1)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C19H25N3O3S/c23-18(16-12-17(25-21-16)15-4-2-1-3-5-15)20-13-19(6-11-26-14-19)22-7-9-24-10-8-22/h1-5,17H,6-14H2,(H,20,23)
InChIKeyLBGXMBQFLJQHLC-UHFFFAOYSA-N
MW375.49 g/mol
LogP1.83
Rot. Bonds5

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

N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 51125025) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID51125025
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCSC1)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C19H25N3O3S/c23-18(16-12-17(25-21-16)15-4-2-1-3-5-15)20-13-19(6-11-26-14-19)22-7-9-24-10-8-22/h1-5,17H,6-14H2,(H,20,23)
InChIKeyLBGXMBQFLJQHLC-UHFFFAOYSA-N
XLogP1.83
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 124727496
4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide
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2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 94667443
5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide
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2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 39156035
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
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N'-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylpyrrolidine-1-carboximidamide
CID 111723939
N-(3-cyanothiolan-3-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
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2-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119862768
2-benzhydryloxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 39154620
2-benzhydryloxy-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 39154623
1-(3-fluorophenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 51125025) is N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C(NCC1(N2CCOCC2)CCSC1)C1=NOC(c2ccccc2)C1.
What is the InChIKey of N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is LBGXMBQFLJQHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c23-18(16-12-17(25-21-16)15-4-2-1-3-5-15)20-13-19(6-11-26-14-19)22-7-9-24-10-8-22/h1-5,17H,6-14H2,(H,20,23).
What are the key properties of N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51125025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).