(5R)-N-(2,5-dimethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide

C17H20N4O3 — CID 97465787

IUPAC(5R)-N-(2,5-dimethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NO[C@@](C)(C(=O)Nc2cc(C)nn2C)C1
InChIInChI=1S/C17H20N4O3/c1-11-9-15(21(3)19-11)18-16(22)17(2)10-13(20-24-17)12-7-5-6-8-14(12)23-4/h5-9H,10H2,1-4H3,(H,18,22)/t17-/m1/s1
InChIKeyKYVDQXWWPIEZLD-QGZVFWFLSA-N
MW328.37 g/mol
LogP2.26
Rot. Bonds4

About (5R)-N-(2,5-dimethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide

(5R)-N-(2,5-dimethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 97465787) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (5R)-N-(2,5-dimethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-(2,5-dimethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
PubChem CID97465787
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(5R)-N-(2,5-dimethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NO[C@@](C)(C(=O)Nc2cc(C)nn2C)C1
InChIInChI=1S/C17H20N4O3/c1-11-9-15(21(3)19-11)18-16(22)17(2)10-13(20-24-17)12-7-5-6-8-14(12)23-4/h5-9H,10H2,1-4H3,(H,18,22)/t17-/m1/s1
InChIKeyKYVDQXWWPIEZLD-QGZVFWFLSA-N
XLogP2.26
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(2,5-dimethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-N-(2,5-dimethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (CID 97465787) is (5R)-N-(2,5-dimethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-N-(2,5-dimethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-N-(2,5-dimethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is COc1ccccc1C1=NO[C@@](C)(C(=O)Nc2cc(C)nn2C)C1.
What is the InChIKey of (5R)-N-(2,5-dimethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is KYVDQXWWPIEZLD-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-9-15(21(3)19-11)18-16(22)17(2)10-13(20-24-17)12-7-5-6-8-14(12)23-4/h5-9H,10H2,1-4H3,(H,18,22)/t17-/m1/s1.
What are the key properties of (5R)-N-(2,5-dimethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
(5R)-N-(2,5-dimethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(2,5-dimethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97465787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).