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

C19H18N6O4 — CID 57377977

IUPACN-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(C)(O)c1coc(Cn2ncc(NC(=O)c3ncoc3-c3ccccc3)n2)n1
InChIInChI=1S/C19H18N6O4/c1-19(2,27)13-10-28-15(22-13)9-25-21-8-14(24-25)23-18(26)16-17(29-11-20-16)12-6-4-3-5-7-12/h3-8,10-11,27H,9H2,1-2H3,(H,23,24,26)
InChIKeyNRHWULLOWPGZHO-UHFFFAOYSA-N
MW394.39 g/mol
LogP2.45
Rot. Bonds6

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

N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 57377977) has the molecular formula C19H18N6O4 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
PubChem CID57377977
Molecular FormulaC19H18N6O4
Molecular Weight394.39 g/mol
Exact Mass394.14
IUPAC NameN-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(C)(O)c1coc(Cn2ncc(NC(=O)c3ncoc3-c3ccccc3)n2)n1
InChIInChI=1S/C19H18N6O4/c1-19(2,27)13-10-28-15(22-13)9-25-21-8-14(24-25)23-18(26)16-17(29-11-20-16)12-6-4-3-5-7-12/h3-8,10-11,27H,9H2,1-2H3,(H,23,24,26)
InChIKeyNRHWULLOWPGZHO-UHFFFAOYSA-N
XLogP2.45
TPSA132.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

Act-389949
CID 49834265
5-Phenyl-oxazole-4-carboxylic acid [1-(4-acetyl-oxazol-2-ylmethyl)-1H-pyrazol-3-yl]-amide
CID 42629962
2-Methyl-5-m-tolyl-oxazole-4-carboxylic acid {2-[4-(1-hydroxy-cyclopropyl)-oxazol-2-ylmethyl]-2H-[1,2,3]triazol-4-yl}-amide
CID 57336781
2-Methyl-5-m-tolyl-oxazole-4-carboxylic acid {2-[4-(1-hydroxy-1-methyl-ethyl)-oxazol-2-ylmethyl]-2H-[1,2,3]triazol-4-yl}-amide
CID 57377975
5-(4-fluorophenyl)-N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-1,3-oxazole-4-carboxamide
CID 57377976
N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-(3-methoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 57378082
N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 57378083
5-(3-chlorophenyl)-N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-1,3-oxazole-4-carboxamide
CID 57378084
5-(3-chlorophenyl)-N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-1,3-oxazole-4-carboxamide
CID 57378085
N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide
CID 57378194
N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
CID 57378196
5-(3-fluorophenyl)-N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-1,3-oxazole-4-carboxamide
CID 57378197

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide (CID 57377977) is N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide is CC(C)(O)c1coc(Cn2ncc(NC(=O)c3ncoc3-c3ccccc3)n2)n1.
What is the InChIKey of N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is NRHWULLOWPGZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O4/c1-19(2,27)13-10-28-15(22-13)9-25-21-8-14(24-25)23-18(26)16-17(29-11-20-16)12-6-4-3-5-7-12/h3-8,10-11,27H,9H2,1-2H3,(H,23,24,26).
What are the key properties of N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 394.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 57377977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).