N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide

C23H23N5O3 — CID 24790337

IUPACN-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)N(C)Cc3cnn(-c4ccccc4C)c3)no2)cn1
InChIInChI=1S/C23H23N5O3/c1-16-6-4-5-7-22(16)28-14-18(11-25-28)13-27(3)23(29)21-10-20(31-26-21)15-30-19-9-8-17(2)24-12-19/h4-12,14H,13,15H2,1-3H3
InChIKeyOBLIWFIHUALZJM-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.72
Rot. Bonds7

About N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide

N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide (PubChem CID 24790337) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
PubChem CID24790337
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)N(C)Cc3cnn(-c4ccccc4C)c3)no2)cn1
InChIInChI=1S/C23H23N5O3/c1-16-6-4-5-7-22(16)28-14-18(11-25-28)13-27(3)23(29)21-10-20(31-26-21)15-30-19-9-8-17(2)24-12-19/h4-12,14H,13,15H2,1-3H3
InChIKeyOBLIWFIHUALZJM-UHFFFAOYSA-N
XLogP3.72
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide (CID 24790337) is N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide is Cc1ccc(OCc2cc(C(=O)N(C)Cc3cnn(-c4ccccc4C)c3)no2)cn1.
What is the InChIKey of N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is OBLIWFIHUALZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-16-6-4-5-7-22(16)28-14-18(11-25-28)13-27(3)23(29)21-10-20(31-26-21)15-30-19-9-8-17(2)24-12-19/h4-12,14H,13,15H2,1-3H3.
What are the key properties of N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24790337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).