N-methyl-3-(2-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H23N3O3 — CID 83289413

IUPACN-methyl-3-(2-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccccc1C1=NOC(C(=O)N(C)CC(=O)NC(C)C)C1
InChIInChI=1S/C17H23N3O3/c1-11(2)18-16(21)10-20(4)17(22)15-9-14(19-23-15)13-8-6-5-7-12(13)3/h5-8,11,15H,9-10H2,1-4H3,(H,18,21)
InChIKeyOYUPSVLRHKPHSL-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.47
Rot. Bonds5

About N-methyl-3-(2-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

N-methyl-3-(2-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 83289413) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-methyl-3-(2-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(2-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID83289413
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-methyl-3-(2-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccccc1C1=NOC(C(=O)N(C)CC(=O)NC(C)C)C1
InChIInChI=1S/C17H23N3O3/c1-11(2)18-16(21)10-20(4)17(22)15-9-14(19-23-15)13-8-6-5-7-12(13)3/h5-8,11,15H,9-10H2,1-4H3,(H,18,21)
InChIKeyOYUPSVLRHKPHSL-UHFFFAOYSA-N
XLogP1.47
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-methyl-3-(2-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 83289413) is N-methyl-3-(2-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-methyl-3-(2-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-methyl-3-(2-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1ccccc1C1=NOC(C(=O)N(C)CC(=O)NC(C)C)C1.
What is the InChIKey of N-methyl-3-(2-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is OYUPSVLRHKPHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11(2)18-16(21)10-20(4)17(22)15-9-14(19-23-15)13-8-6-5-7-12(13)3/h5-8,11,15H,9-10H2,1-4H3,(H,18,21).
What are the key properties of N-methyl-3-(2-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-methyl-3-(2-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 83289413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).