2-[(3-methoxyphenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide

C18H20N4O4 — CID 42147972

IUPAC2-[(3-methoxyphenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(OCc2nc(C(=O)N[C@H](C)c3cnn(C)c3)co2)c1
InChIInChI=1S/C18H20N4O4/c1-12(13-8-19-22(2)9-13)20-18(23)16-10-26-17(21-16)11-25-15-6-4-5-14(7-15)24-3/h4-10,12H,11H2,1-3H3,(H,20,23)/t12-/m1/s1
InChIKeyHBCWVTWMUJDFAB-GFCCVEGCSA-N
MW356.38 g/mol
LogP2.49
Rot. Bonds7

About 2-[(3-methoxyphenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide

2-[(3-methoxyphenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 42147972) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[(3-methoxyphenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-methoxyphenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID42147972
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name2-[(3-methoxyphenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(OCc2nc(C(=O)N[C@H](C)c3cnn(C)c3)co2)c1
InChIInChI=1S/C18H20N4O4/c1-12(13-8-19-22(2)9-13)20-18(23)16-10-26-17(21-16)11-25-15-6-4-5-14(7-15)24-3/h4-10,12H,11H2,1-3H3,(H,20,23)/t12-/m1/s1
InChIKeyHBCWVTWMUJDFAB-GFCCVEGCSA-N
XLogP2.49
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 26322993
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 42403951
2-[(4-methoxyphenoxy)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42526219
2-[(3-methoxyphenoxy)methyl]-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 26403419
2-(1,3-benzodioxol-5-yloxymethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 176989335
N-[1-(1H-imidazol-2-yl)ethyl]-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazole-4-carboxamide
CID 56708149
[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 45229409
2-[(3-fluorophenoxy)methyl]-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 95205239
2-[[(3-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-[(1S)-1-phenylethyl]-1,3-oxazole-4-carboxamide
CID 93158014
5-hydroxy-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
CID 86285442
5-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
CID 99974698
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 96582836

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(3-methoxyphenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide (CID 42147972) is 2-[(3-methoxyphenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(3-methoxyphenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(3-methoxyphenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide is COc1cccc(OCc2nc(C(=O)N[C@H](C)c3cnn(C)c3)co2)c1.
What is the InChIKey of 2-[(3-methoxyphenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is HBCWVTWMUJDFAB-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-12(13-8-19-22(2)9-13)20-18(23)16-10-26-17(21-16)11-25-15-6-4-5-14(7-15)24-3/h4-10,12H,11H2,1-3H3,(H,20,23)/t12-/m1/s1.
What are the key properties of 2-[(3-methoxyphenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide?
2-[(3-methoxyphenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42147972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).