N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide

C17H16N4O4 — CID 99695437

IUPACN-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cn(C)c(=O)n(C)c3=O)on2)cc1
InChIInChI=1S/C17H16N4O4/c1-10-4-6-11(7-5-10)12-8-14(25-19-12)15(22)18-13-9-20(2)17(24)21(3)16(13)23/h4-9H,1-3H3,(H,18,22)
InChIKeyOHPYOGMEDKVVIJ-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.30
Rot. Bonds3

About N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide

N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 99695437) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID99695437
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC NameN-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cn(C)c(=O)n(C)c3=O)on2)cc1
InChIInChI=1S/C17H16N4O4/c1-10-4-6-11(7-5-10)12-8-14(25-19-12)15(22)18-13-9-20(2)17(24)21(3)16(13)23/h4-9H,1-3H3,(H,18,22)
InChIKeyOHPYOGMEDKVVIJ-UHFFFAOYSA-N
XLogP1.30
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 99818074
N-(2-carbamoyl-3-methylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 87006047
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427832
3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide
CID 47269641
N-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427554
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 119041204
methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate
CID 776547
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55786487
N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55933881
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55843020
N-(4-methylcyclohexyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427023
2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid
CID 119237689

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (CID 99695437) is N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cn(C)c(=O)n(C)c3=O)on2)cc1.
What is the InChIKey of N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is OHPYOGMEDKVVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-10-4-6-11(7-5-10)12-8-14(25-19-12)15(22)18-13-9-20(2)17(24)21(3)16(13)23/h4-9H,1-3H3,(H,18,22).
What are the key properties of N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 99695437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).