N-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide

C22H21N5O3 — CID 46957688

IUPACN-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3cnn(C)c3)on2)cc1
InChIInChI=1S/C22H21N5O3/c1-26-15-18(12-24-26)21-10-20(25-30-21)22(28)27(14-17-4-3-9-23-11-17)13-16-5-7-19(29-2)8-6-16/h3-12,15H,13-14H2,1-2H3
InChIKeyYOLUMVGFOFXWIZ-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.32
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide

N-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 46957688) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID46957688
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3cnn(C)c3)on2)cc1
InChIInChI=1S/C22H21N5O3/c1-26-15-18(12-24-26)21-10-20(25-30-21)22(28)27(14-17-4-3-9-23-11-17)13-16-5-7-19(29-2)8-6-16/h3-12,15H,13-14H2,1-2H3
InChIKeyYOLUMVGFOFXWIZ-UHFFFAOYSA-N
XLogP3.32
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 46957688) is N-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide is COc1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3cnn(C)c3)on2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is YOLUMVGFOFXWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-26-15-18(12-24-26)21-10-20(25-30-21)22(28)27(14-17-4-3-9-23-11-17)13-16-5-7-19(29-2)8-6-16/h3-12,15H,13-14H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46957688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).