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

C21H20N6O4 — CID 57336781

IUPACN-[2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2oc(C)nc2C(=O)Nc2cnn(Cc3nc(C4(O)CC4)co3)n2)c1
InChIInChI=1S/C21H20N6O4/c1-12-4-3-5-14(8-12)19-18(23-13(2)31-19)20(28)25-16-9-22-27(26-16)10-17-24-15(11-30-17)21(29)6-7-21/h3-5,8-9,11,29H,6-7,10H2,1-2H3,(H,25,26,28)
InChIKeyWGENOZQJJCPCMR-UHFFFAOYSA-N
MW420.43 g/mol
LogP2.82
Rot. Bonds6

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

N-[2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 57336781) has the molecular formula C21H20N6O4 and a molecular weight of 420.43 g/mol. Its IUPAC name is N-[2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID57336781
Molecular FormulaC21H20N6O4
Molecular Weight420.43 g/mol
Exact Mass420.15
IUPAC NameN-[2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2oc(C)nc2C(=O)Nc2cnn(Cc3nc(C4(O)CC4)co3)n2)c1
InChIInChI=1S/C21H20N6O4/c1-12-4-3-5-14(8-12)19-18(23-13(2)31-19)20(28)25-16-9-22-27(26-16)10-17-24-15(11-30-17)21(29)6-7-21/h3-5,8-9,11,29H,6-7,10H2,1-2H3,(H,25,26,28)
InChIKeyWGENOZQJJCPCMR-UHFFFAOYSA-N
XLogP2.82
TPSA132.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 52.82
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-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-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-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (CID 57336781) is N-[2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1cccc(-c2oc(C)nc2C(=O)Nc2cnn(Cc3nc(C4(O)CC4)co3)n2)c1.
What is the InChIKey of N-[2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is WGENOZQJJCPCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O4/c1-12-4-3-5-14(8-12)19-18(23-13(2)31-19)20(28)25-16-9-22-27(26-16)10-17-24-15(11-30-17)21(29)6-7-21/h3-5,8-9,11,29H,6-7,10H2,1-2H3,(H,25,26,28).
What are the key properties of N-[2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
N-[2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 420.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 57336781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).