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

C21H22N6O5 — CID 57378082

IUPACN-[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
SMILESCOc1cccc(-c2oc(C)nc2C(=O)Nc2cnn(Cc3nc(C(C)(C)O)co3)n2)c1
InChIInChI=1S/C21H22N6O5/c1-12-23-18(19(32-12)13-6-5-7-14(8-13)30-4)20(28)25-16-9-22-27(26-16)10-17-24-15(11-31-17)21(2,3)29/h5-9,11,29H,10H2,1-4H3,(H,25,26,28)
InChIKeyRXBSPXNQUCCQHW-UHFFFAOYSA-N
MW438.44 g/mol
LogP2.77
Rot. Bonds7

About 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

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 (PubChem CID 57378082) has the molecular formula C21H22N6O5 and a molecular weight of 438.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID57378082
Molecular FormulaC21H22N6O5
Molecular Weight438.44 g/mol
Exact Mass438.17
IUPAC NameN-[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
SMILESCOc1cccc(-c2oc(C)nc2C(=O)Nc2cnn(Cc3nc(C(C)(C)O)co3)n2)c1
InChIInChI=1S/C21H22N6O5/c1-12-23-18(19(32-12)13-6-5-7-14(8-13)30-4)20(28)25-16-9-22-27(26-16)10-17-24-15(11-31-17)21(2,3)29/h5-9,11,29H,10H2,1-4H3,(H,25,26,28)
InChIKeyRXBSPXNQUCCQHW-UHFFFAOYSA-N
XLogP2.77
TPSA141.33 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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]-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-(3-methoxyphenyl)-2-methyl-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-(3-methoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide (CID 57378082) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc(-c2oc(C)nc2C(=O)Nc2cnn(Cc3nc(C(C)(C)O)co3)n2)c1.
What is the InChIKey of 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?
The InChIKey is RXBSPXNQUCCQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O5/c1-12-23-18(19(32-12)13-6-5-7-14(8-13)30-4)20(28)25-16-9-22-27(26-16)10-17-24-15(11-31-17)21(2,3)29/h5-9,11,29H,10H2,1-4H3,(H,25,26,28).
What are the key properties of 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?
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 has a molecular weight of 438.44 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 10 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-(3-methoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 57378082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).