N-[2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide

C18H16N6O3S — CID 86698198

IUPACN-[2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCOCc1ncc(Cn2ncc(NC(=O)c3ncoc3-c3ccccc3)n2)s1
InChIInChI=1S/C18H16N6O3S/c1-26-10-15-19-7-13(28-15)9-24-21-8-14(23-24)22-18(25)16-17(27-11-20-16)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,22,23,25)
InChIKeyDGXJRCVKNVMWTK-UHFFFAOYSA-N
MW396.43 g/mol
LogP2.84
Rot. Bonds7

About N-[2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide

N-[2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 86698198) has the molecular formula C18H16N6O3S and a molecular weight of 396.43 g/mol. Its IUPAC name is N-[2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
PubChem CID86698198
Molecular FormulaC18H16N6O3S
Molecular Weight396.43 g/mol
Exact Mass396.10
IUPAC NameN-[2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCOCc1ncc(Cn2ncc(NC(=O)c3ncoc3-c3ccccc3)n2)s1
InChIInChI=1S/C18H16N6O3S/c1-26-10-15-19-7-13(28-15)9-24-21-8-14(23-24)22-18(25)16-17(27-11-20-16)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,22,23,25)
InChIKeyDGXJRCVKNVMWTK-UHFFFAOYSA-N
XLogP2.84
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-[(2-acetyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 42643913
N-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 57407307
N-[2-[(5-acetylthiophen-2-yl)methyl]triazol-4-yl]-5-(3-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 42647244
2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-amine
CID 67958100
N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 42645554
N-[1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 66929161
N-(2-methylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689264
[4-(2-methoxyethyl)piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone
CID 16674237
methyl 3-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]benzoate
CID 110689290
2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid
CID 67884067
N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689255
5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide (CID 86698198) is N-[2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide is COCc1ncc(Cn2ncc(NC(=O)c3ncoc3-c3ccccc3)n2)s1.
What is the InChIKey of N-[2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is DGXJRCVKNVMWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3S/c1-26-10-15-19-7-13(28-15)9-24-21-8-14(23-24)22-18(25)16-17(27-11-20-16)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,22,23,25).
What are the key properties of N-[2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
N-[2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86698198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).