N-(5-chloro-2-methyl-3-pyridinyl)-5-(3-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxamide

C17H14ClN3O4 — CID 75204528

IUPACN-(5-chloro-2-methyl-3-pyridinyl)-5-(3-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(Cl)cnc3C)no2)cc1O
InChIInChI=1S/C17H14ClN3O4/c1-9-12(6-11(18)8-19-9)20-17(23)13-7-16(25-21-13)10-3-4-15(24-2)14(22)5-10/h3-8,22H,1-2H3,(H,20,23)
InChIKeyVDKWDUNMJWDIGU-UHFFFAOYSA-N
MW359.77 g/mol
LogP3.66
Rot. Bonds4

About N-(5-chloro-2-methyl-3-pyridinyl)-5-(3-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-(5-chloro-2-methyl-3-pyridinyl)-5-(3-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 75204528) has the molecular formula C17H14ClN3O4 and a molecular weight of 359.77 g/mol. Its IUPAC name is N-(5-chloro-2-methyl-3-pyridinyl)-5-(3-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methyl-3-pyridinyl)-5-(3-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID75204528
Molecular FormulaC17H14ClN3O4
Molecular Weight359.77 g/mol
Exact Mass359.07
IUPAC NameN-(5-chloro-2-methyl-3-pyridinyl)-5-(3-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(Cl)cnc3C)no2)cc1O
InChIInChI=1S/C17H14ClN3O4/c1-9-12(6-11(18)8-19-9)20-17(23)13-7-16(25-21-13)10-3-4-15(24-2)14(22)5-10/h3-8,22H,1-2H3,(H,20,23)
InChIKeyVDKWDUNMJWDIGU-UHFFFAOYSA-N
XLogP3.66
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methyl-3-pyridinyl)-5-(3-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methyl-3-pyridinyl)-5-(3-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 75204528) is N-(5-chloro-2-methyl-3-pyridinyl)-5-(3-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methyl-3-pyridinyl)-5-(3-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methyl-3-pyridinyl)-5-(3-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cc(Cl)cnc3C)no2)cc1O.
What is the InChIKey of N-(5-chloro-2-methyl-3-pyridinyl)-5-(3-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is VDKWDUNMJWDIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4/c1-9-12(6-11(18)8-19-9)20-17(23)13-7-16(25-21-13)10-3-4-15(24-2)14(22)5-10/h3-8,22H,1-2H3,(H,20,23).
What are the key properties of N-(5-chloro-2-methyl-3-pyridinyl)-5-(3-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(5-chloro-2-methyl-3-pyridinyl)-5-(3-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 359.77 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methyl-3-pyridinyl)-5-(3-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75204528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).