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

C20H20N6O4 — CID 57378194

IUPACN-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cnn(Cc3nc(C(C)(C)O)co3)n2)c(-c2ccccc2)o1
InChIInChI=1S/C20H20N6O4/c1-12-22-17(18(30-12)13-7-5-4-6-8-13)19(27)24-15-9-21-26(25-15)10-16-23-14(11-29-16)20(2,3)28/h4-9,11,28H,10H2,1-3H3,(H,24,25,27)
InChIKeyPBPOKNAZEDJSCU-UHFFFAOYSA-N
MW408.42 g/mol
LogP2.76
Rot. Bonds6

About 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

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 (PubChem CID 57378194) has the molecular formula C20H20N6O4 and a molecular weight of 408.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide
PubChem CID57378194
Molecular FormulaC20H20N6O4
Molecular Weight408.42 g/mol
Exact Mass408.15
IUPAC NameN-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cnn(Cc3nc(C(C)(C)O)co3)n2)c(-c2ccccc2)o1
InChIInChI=1S/C20H20N6O4/c1-12-22-17(18(30-12)13-7-5-4-6-8-13)19(27)24-15-9-21-26(25-15)10-16-23-14(11-29-16)20(2,3)28/h4-9,11,28H,10H2,1-3H3,(H,24,25,27)
InChIKeyPBPOKNAZEDJSCU-UHFFFAOYSA-N
XLogP2.76
TPSA132.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 52.76
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-phenyl-1,3-oxazole-4-carboxamide
CID 57377977
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-[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]-2-methyl-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]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide (CID 57378194) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(C(=O)Nc2cnn(Cc3nc(C(C)(C)O)co3)n2)c(-c2ccccc2)o1.
What is the InChIKey of 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?
The InChIKey is PBPOKNAZEDJSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O4/c1-12-22-17(18(30-12)13-7-5-4-6-8-13)19(27)24-15-9-21-26(25-15)10-16-23-14(11-29-16)20(2,3)28/h4-9,11,28H,10H2,1-3H3,(H,24,25,27).
What are the key properties of 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?
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 has a molecular weight of 408.42 g/mol, XLogP of 2.76, 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]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 57378194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).