N-[2-methoxy-6-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C23H23N5O3 — CID 166108575

IUPACN-[2-methoxy-6-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(-c2cnn(C(C)C)c2)ccc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C23H23N5O3/c1-14(2)28-13-17(12-24-28)18-10-11-19(23(26-18)30-4)25-22(29)20-15(3)31-27-21(20)16-8-6-5-7-9-16/h5-14H,1-4H3,(H,25,29)
InChIKeyRVVHJSFVFIWAAU-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.75
Rot. Bonds6

About N-[2-methoxy-6-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[2-methoxy-6-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 166108575) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[2-methoxy-6-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-6-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID166108575
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-[2-methoxy-6-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(-c2cnn(C(C)C)c2)ccc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C23H23N5O3/c1-14(2)28-13-17(12-24-28)18-10-11-19(23(26-18)30-4)25-22(29)20-15(3)31-27-21(20)16-8-6-5-7-9-16/h5-14H,1-4H3,(H,25,29)
InChIKeyRVVHJSFVFIWAAU-UHFFFAOYSA-N
XLogP4.75
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-6-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-methoxy-6-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 166108575) is N-[2-methoxy-6-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-methoxy-6-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-methoxy-6-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1nc(-c2cnn(C(C)C)c2)ccc1NC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of N-[2-methoxy-6-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is RVVHJSFVFIWAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-14(2)28-13-17(12-24-28)18-10-11-19(23(26-18)30-4)25-22(29)20-15(3)31-27-21(20)16-8-6-5-7-9-16/h5-14H,1-4H3,(H,25,29).
What are the key properties of N-[2-methoxy-6-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[2-methoxy-6-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-6-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166108575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).