5-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-3-carboxamide

C17H22N3O3+ — CID 6965930

IUPAC5-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)no2)cc1
InChIInChI=1S/C17H21N3O3/c1-13-2-4-14(5-3-13)16-12-15(19-23-16)17(21)18-6-7-20-8-10-22-11-9-20/h2-5,12H,6-11H2,1H3,(H,18,21)/p+1
InChIKeyCFDHKCVCIVMMOD-UHFFFAOYSA-O
MW316.38 g/mol
LogP0.29
Rot. Bonds5

About 5-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-3-carboxamide

5-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 6965930) has the molecular formula C17H22N3O3+ and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-3-carboxamide
PubChem CID6965930
Molecular FormulaC17H22N3O3+
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name5-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)no2)cc1
InChIInChI=1S/C17H21N3O3/c1-13-2-4-14(5-3-13)16-12-15(19-23-16)17(21)18-6-7-20-8-10-22-11-9-20/h2-5,12H,6-11H2,1H3,(H,18,21)/p+1
InChIKeyCFDHKCVCIVMMOD-UHFFFAOYSA-O
XLogP0.29
TPSA68.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 1093775
5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3241430
2-(4-methylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 7098101
4-[(4-methylphenyl)sulfanylmethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7379251
2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride
CID 43834667
N-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide
CID 71090833
5-(4-bromophenyl)-N-butyl-1,2-oxazole-3-carboxamide
CID 22427396
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093805
5-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 45133089
3-acetamido-4-(4-methylphenyl)sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 4052471
N'-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 2201388
5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 119507911

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-3-carboxamide (CID 6965930) is 5-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)no2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is CFDHKCVCIVMMOD-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H21N3O3/c1-13-2-4-14(5-3-13)16-12-15(19-23-16)17(21)18-6-7-20-8-10-22-11-9-20/h2-5,12H,6-11H2,1H3,(H,18,21)/p+1.
What are the key properties of 5-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-3-carboxamide?
5-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 6965930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).