2-(4-methylphenyl)-N-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,3-oxazole-4-carboxamide

C22H21N5O2 — CID 58120099

IUPAC2-(4-methylphenyl)-N-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(Cn2cc(CNC(=O)c3coc(-c4ccc(C)cc4)n3)nn2)cc1
InChIInChI=1S/C22H21N5O2/c1-15-3-7-17(8-4-15)12-27-13-19(25-26-27)11-23-21(28)20-14-29-22(24-20)18-9-5-16(2)6-10-18/h3-10,13-14H,11-12H2,1-2H3,(H,23,28)
InChIKeyYWRFSJGVPGMFIN-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.53
Rot. Bonds6

About 2-(4-methylphenyl)-N-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,3-oxazole-4-carboxamide

2-(4-methylphenyl)-N-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 58120099) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID58120099
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name2-(4-methylphenyl)-N-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(Cn2cc(CNC(=O)c3coc(-c4ccc(C)cc4)n3)nn2)cc1
InChIInChI=1S/C22H21N5O2/c1-15-3-7-17(8-4-15)12-27-13-19(25-26-27)11-23-21(28)20-14-29-22(24-20)18-9-5-16(2)6-10-18/h3-10,13-14H,11-12H2,1-2H3,(H,23,28)
InChIKeyYWRFSJGVPGMFIN-UHFFFAOYSA-N
XLogP3.53
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methylphenyl)-N-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[[1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]triazol-4-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 58120088
N-[(1-benzyltriazol-4-yl)methyl]furan-2-carboxamide
CID 102109798
N-[[1-[[2-(4-chlorophenyl)-4-oxochromen-6-yl]methyl]triazol-4-yl]methyl]-4-methylbenzamide
CID 123131735
methyl 4-[[4-[[[3-[[1-[(4-methoxycarbonylphenyl)methyl]triazol-4-yl]methylcarbamoyl]-5-methylbenzoyl]amino]methyl]triazol-1-yl]methyl]benzoate
CID 177434929
[1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 62054469
1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carbaldehyde
CID 66214186
1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanone
CID 115084506
3-[(1-benzyltriazol-4-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazol-2-one
CID 155547405
2-amino-N-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778828
4-[[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]methyl]benzamide
CID 114778729
1-[(4-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 53333432
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 50755014

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,3-oxazole-4-carboxamide (CID 58120099) is 2-(4-methylphenyl)-N-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,3-oxazole-4-carboxamide is Cc1ccc(Cn2cc(CNC(=O)c3coc(-c4ccc(C)cc4)n3)nn2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is YWRFSJGVPGMFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-15-3-7-17(8-4-15)12-27-13-19(25-26-27)11-23-21(28)20-14-29-22(24-20)18-9-5-16(2)6-10-18/h3-10,13-14H,11-12H2,1-2H3,(H,23,28).
What are the key properties of 2-(4-methylphenyl)-N-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,3-oxazole-4-carboxamide?
2-(4-methylphenyl)-N-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 58120099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).