N-(4-methoxyphenyl)-1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide

C19H19N5O5S — CID 18572159

IUPACN-(4-methoxyphenyl)-1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(SCC(=O)Nc3cc(C)on3)n(C)c2=O)cc1
InChIInChI=1S/C19H19N5O5S/c1-11-8-15(23-29-11)22-16(25)10-30-19-20-9-14(18(27)24(19)2)17(26)21-12-4-6-13(28-3)7-5-12/h4-9H,10H2,1-3H3,(H,21,26)(H,22,23,25)
InChIKeyVNJMUHJSGYEGDR-UHFFFAOYSA-N
MW429.46 g/mol
LogP2.07
Rot. Bonds7

About N-(4-methoxyphenyl)-1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide

N-(4-methoxyphenyl)-1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide (PubChem CID 18572159) has the molecular formula C19H19N5O5S and a molecular weight of 429.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide
PubChem CID18572159
Molecular FormulaC19H19N5O5S
Molecular Weight429.46 g/mol
Exact Mass429.11
IUPAC NameN-(4-methoxyphenyl)-1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(SCC(=O)Nc3cc(C)on3)n(C)c2=O)cc1
InChIInChI=1S/C19H19N5O5S/c1-11-8-15(23-29-11)22-16(25)10-30-19-20-9-14(18(27)24(19)2)17(26)21-12-4-6-13(28-3)7-5-12/h4-9H,10H2,1-3H3,(H,21,26)(H,22,23,25)
InChIKeyVNJMUHJSGYEGDR-UHFFFAOYSA-N
XLogP2.07
TPSA128.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-methoxyphenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 40589293
2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide
CID 18572131
2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)-1-methyl-6-oxopyrimidine-5-carboxamide
CID 18572141
N-(4-methoxyphenyl)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide
CID 37475742
2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7907270
2,6-dimethoxy-N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 22778655
[2-(4-methoxyanilino)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 7799323
N-(4-methoxyphenyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 33335871
N-(3,5-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 18569187
2-[[5-[(4-ethoxyanilino)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 652793
8-[[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 22785161
N-(3-methoxyphenyl)-1-methyl-6-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyrimidine-5-carboxamide
CID 18572164

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide (CID 18572159) is N-(4-methoxyphenyl)-1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(SCC(=O)Nc3cc(C)on3)n(C)c2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide?
The InChIKey is VNJMUHJSGYEGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O5S/c1-11-8-15(23-29-11)22-16(25)10-30-19-20-9-14(18(27)24(19)2)17(26)21-12-4-6-13(28-3)7-5-12/h4-9H,10H2,1-3H3,(H,21,26)(H,22,23,25).
What are the key properties of N-(4-methoxyphenyl)-1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide?
N-(4-methoxyphenyl)-1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide has a molecular weight of 429.46 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 18572159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).