3-(2-hydroxyphenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide

C20H21N5O5 — CID 135619833

IUPAC3-(2-hydroxyphenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccccc3O)no2)nn1CC(=O)N1CCOCC1
InChIInChI=1S/C20H21N5O5/c1-13-10-18(22-25(13)12-19(27)24-6-8-29-9-7-24)21-20(28)17-11-15(23-30-17)14-4-2-3-5-16(14)26/h2-5,10-11,26H,6-9,12H2,1H3,(H,21,22,28)
InChIKeyINTPVHSZTYTLSA-UHFFFAOYSA-N
MW411.42 g/mol
LogP1.66
Rot. Bonds5

About 3-(2-hydroxyphenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide

3-(2-hydroxyphenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 135619833) has the molecular formula C20H21N5O5 and a molecular weight of 411.42 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID135619833
Molecular FormulaC20H21N5O5
Molecular Weight411.42 g/mol
Exact Mass411.15
IUPAC Name3-(2-hydroxyphenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccccc3O)no2)nn1CC(=O)N1CCOCC1
InChIInChI=1S/C20H21N5O5/c1-13-10-18(22-25(13)12-19(27)24-6-8-29-9-7-24)21-20(28)17-11-15(23-30-17)14-4-2-3-5-16(14)26/h2-5,10-11,26H,6-9,12H2,1H3,(H,21,22,28)
InChIKeyINTPVHSZTYTLSA-UHFFFAOYSA-N
XLogP1.66
TPSA122.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide (CID 135619833) is 3-(2-hydroxyphenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccccc3O)no2)nn1CC(=O)N1CCOCC1.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is INTPVHSZTYTLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O5/c1-13-10-18(22-25(13)12-19(27)24-6-8-29-9-7-24)21-20(28)17-11-15(23-30-17)14-4-2-3-5-16(14)26/h2-5,10-11,26H,6-9,12H2,1H3,(H,21,22,28).
What are the key properties of 3-(2-hydroxyphenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide?
3-(2-hydroxyphenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 135619833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).