3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-5-carboxamide

C21H16ClN5O4 — CID 121027307

IUPAC3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-5-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)no1)c1c[nH]c(=O)n(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C21H16ClN5O4/c22-16-9-5-4-8-14(16)12-27-20(29)15(10-24-21(27)30)19(28)23-11-17-25-18(26-31-17)13-6-2-1-3-7-13/h1-10H,11-12H2,(H,23,28)(H,24,30)
InChIKeyQGNSPIZIOGMIBB-UHFFFAOYSA-N
MW437.84 g/mol
LogP2.22
Rot. Bonds6

About 3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-5-carboxamide

3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-5-carboxamide (PubChem CID 121027307) has the molecular formula C21H16ClN5O4 and a molecular weight of 437.84 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-5-carboxamide
PubChem CID121027307
Molecular FormulaC21H16ClN5O4
Molecular Weight437.84 g/mol
Exact Mass437.09
IUPAC Name3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-5-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)no1)c1c[nH]c(=O)n(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C21H16ClN5O4/c22-16-9-5-4-8-14(16)12-27-20(29)15(10-24-21(27)30)19(28)23-11-17-25-18(26-31-17)13-6-2-1-3-7-13/h1-10H,11-12H2,(H,23,28)(H,24,30)
InChIKeyQGNSPIZIOGMIBB-UHFFFAOYSA-N
XLogP2.22
TPSA122.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.84
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-phenyl-1H-pyrimidine-5-carboxamide
CID 121027030
3-[(2-chlorophenyl)methyl]-N-[(2,4-difluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027301
3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide
CID 121027252
2-chloro-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 4897476
3-[(2-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121026988
3-[(2-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027123
3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-5-carboxamide
CID 121027340
3-[(2-chlorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027104
3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-(4-phenylbutan-2-yl)-1H-pyrimidine-5-carboxamide
CID 121027269
3-[(2-chlorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027207
3-[(2-chlorophenyl)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027203
3-[(2-chlorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027133

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-5-carboxamide (CID 121027307) is 3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-5-carboxamide is O=C(NCc1nc(-c2ccccc2)no1)c1c[nH]c(=O)n(Cc2ccccc2Cl)c1=O.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is QGNSPIZIOGMIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O4/c22-16-9-5-4-8-14(16)12-27-20(29)15(10-24-21(27)30)19(28)23-11-17-25-18(26-31-17)13-6-2-1-3-7-13/h1-10H,11-12H2,(H,23,28)(H,24,30).
What are the key properties of 3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-5-carboxamide?
3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 437.84 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121027307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).