N-benzhydryl-6-oxo-2-(5-oxo-1,3-oxazolidine-3-carbonyl)-1H-pyrimidine-5-carboxamide

C22H18N4O5 — CID 121269613

IUPACN-benzhydryl-6-oxo-2-(5-oxo-1,3-oxazolidine-3-carbonyl)-1H-pyrimidine-5-carboxamide
SMILESO=C1CN(C(=O)c2ncc(C(=O)NC(c3ccccc3)c3ccccc3)c(=O)[nH]2)CO1
InChIInChI=1S/C22H18N4O5/c27-17-12-26(13-31-17)22(30)19-23-11-16(21(29)25-19)20(28)24-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-11,18H,12-13H2,(H,24,28)(H,23,25,29)
InChIKeyIOIBHVUCYZCWPM-UHFFFAOYSA-N
MW418.41 g/mol
LogP1.25
Rot. Bonds5

About N-benzhydryl-6-oxo-2-(5-oxo-1,3-oxazolidine-3-carbonyl)-1H-pyrimidine-5-carboxamide

N-benzhydryl-6-oxo-2-(5-oxo-1,3-oxazolidine-3-carbonyl)-1H-pyrimidine-5-carboxamide (PubChem CID 121269613) has the molecular formula C22H18N4O5 and a molecular weight of 418.41 g/mol. Its IUPAC name is N-benzhydryl-6-oxo-2-(5-oxo-1,3-oxazolidine-3-carbonyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-6-oxo-2-(5-oxo-1,3-oxazolidine-3-carbonyl)-1H-pyrimidine-5-carboxamide
PubChem CID121269613
Molecular FormulaC22H18N4O5
Molecular Weight418.41 g/mol
Exact Mass418.13
IUPAC NameN-benzhydryl-6-oxo-2-(5-oxo-1,3-oxazolidine-3-carbonyl)-1H-pyrimidine-5-carboxamide
SMILESO=C1CN(C(=O)c2ncc(C(=O)NC(c3ccccc3)c3ccccc3)c(=O)[nH]2)CO1
InChIInChI=1S/C22H18N4O5/c27-17-12-26(13-31-17)22(30)19-23-11-16(21(29)25-19)20(28)24-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-11,18H,12-13H2,(H,24,28)(H,23,25,29)
InChIKeyIOIBHVUCYZCWPM-UHFFFAOYSA-N
XLogP1.25
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-benzhydryl-6-oxo-1H-pyrimidine-2,5-dicarboxamide
CID 90341537
5-[5-(benzhydrylcarbamoyl)-6-oxo-1H-pyrimidin-2-yl]-2-hydroxy-2-methyl-5-oxopentanoic acid
CID 148748647
N-benzhydryl-2-formyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 89464424
2-[[5-(benzhydrylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]ethanesulfonic acid
CID 71533348
[[5-(benzhydrylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino] propanoate
CID 145057835
5-N-benzhydryl-2-N-(diethoxyphosphanylmethyl)-6-oxo-1H-pyrimidine-2,5-dicarboxamide
CID 129057663
N-benzhydryl-2-(3-diethoxyphosphorylpropanoyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 159834093
N-benzhydryl-2-(nitrosomethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 123951022
ethoxycarbonyloxymethyl 2-[[5-(benzhydrylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]acetate
CID 121276613
N-benzhydryl-2-formyl-6-oxo-1H-pyrimidine-5-carboxamide;N-benzhydryl-2-[(E)-hydroxyiminomethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 172964660
methyl-[4-[(S)-[(6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethyl]phenyl]phosphinic acid;sulfane
CID 160962027
3-[[5-[bis(4-chlorophenyl)methylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]propanoic acid
CID 121272853

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-6-oxo-2-(5-oxo-1,3-oxazolidine-3-carbonyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-benzhydryl-6-oxo-2-(5-oxo-1,3-oxazolidine-3-carbonyl)-1H-pyrimidine-5-carboxamide (CID 121269613) is N-benzhydryl-6-oxo-2-(5-oxo-1,3-oxazolidine-3-carbonyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzhydryl-6-oxo-2-(5-oxo-1,3-oxazolidine-3-carbonyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-benzhydryl-6-oxo-2-(5-oxo-1,3-oxazolidine-3-carbonyl)-1H-pyrimidine-5-carboxamide is O=C1CN(C(=O)c2ncc(C(=O)NC(c3ccccc3)c3ccccc3)c(=O)[nH]2)CO1.
What is the InChIKey of N-benzhydryl-6-oxo-2-(5-oxo-1,3-oxazolidine-3-carbonyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is IOIBHVUCYZCWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O5/c27-17-12-26(13-31-17)22(30)19-23-11-16(21(29)25-19)20(28)24-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-11,18H,12-13H2,(H,24,28)(H,23,25,29).
What are the key properties of N-benzhydryl-6-oxo-2-(5-oxo-1,3-oxazolidine-3-carbonyl)-1H-pyrimidine-5-carboxamide?
N-benzhydryl-6-oxo-2-(5-oxo-1,3-oxazolidine-3-carbonyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 418.41 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-6-oxo-2-(5-oxo-1,3-oxazolidine-3-carbonyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121269613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).