2-(3-methylphenyl)-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1H-pyrimidine-5-carboxamide

C17H18N4O4 — CID 70783959

IUPAC2-(3-methylphenyl)-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1H-pyrimidine-5-carboxamide
SMILESCc1cccc(-c2ncc(C(=O)NCCN3CCOC3=O)c(=O)[nH]2)c1
InChIInChI=1S/C17H18N4O4/c1-11-3-2-4-12(9-11)14-19-10-13(16(23)20-14)15(22)18-5-6-21-7-8-25-17(21)24/h2-4,9-10H,5-8H2,1H3,(H,18,22)(H,19,20,23)
InChIKeyPNKFTLIWGQPTJW-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.93
Rot. Bonds5

About 2-(3-methylphenyl)-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1H-pyrimidine-5-carboxamide

2-(3-methylphenyl)-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1H-pyrimidine-5-carboxamide (PubChem CID 70783959) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-(3-methylphenyl)-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1H-pyrimidine-5-carboxamide
PubChem CID70783959
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2-(3-methylphenyl)-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1H-pyrimidine-5-carboxamide
SMILESCc1cccc(-c2ncc(C(=O)NCCN3CCOC3=O)c(=O)[nH]2)c1
InChIInChI=1S/C17H18N4O4/c1-11-3-2-4-12(9-11)14-19-10-13(16(23)20-14)15(22)18-5-6-21-7-8-25-17(21)24/h2-4,9-10H,5-8H2,1H3,(H,18,22)(H,19,20,23)
InChIKeyPNKFTLIWGQPTJW-UHFFFAOYSA-N
XLogP0.93
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenyl)-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide
CID 70769275
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6-oxo-2-phenyl-N-(4-pyrrolidin-1-ylbutyl)-1H-pyrimidine-5-carboxamide
CID 70724558
N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 70725726
2-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]chromene-3-carboxamide
CID 110741030
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72918666
2-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]acetamide
CID 110707245
3,5-dimethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-benzofuran-2-carboxamide
CID 25310202
3-chloro-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
CID 110707208
5-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one
CID 83893681
2,3-dimethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]quinoxaline-6-carboxamide
CID 72852469
2-tert-butyl-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 70760010

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-methylphenyl)-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1H-pyrimidine-5-carboxamide (CID 70783959) is 2-(3-methylphenyl)-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-methylphenyl)-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-methylphenyl)-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1H-pyrimidine-5-carboxamide is Cc1cccc(-c2ncc(C(=O)NCCN3CCOC3=O)c(=O)[nH]2)c1.
What is the InChIKey of 2-(3-methylphenyl)-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is PNKFTLIWGQPTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-11-3-2-4-12(9-11)14-19-10-13(16(23)20-14)15(22)18-5-6-21-7-8-25-17(21)24/h2-4,9-10H,5-8H2,1H3,(H,18,22)(H,19,20,23).
What are the key properties of 2-(3-methylphenyl)-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1H-pyrimidine-5-carboxamide?
2-(3-methylphenyl)-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70783959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).