N-(5-tert-butyl-1,2-oxazol-3-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide

C14H17N3O4 — CID 21088891

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)Nc2cc(C(C)(C)C)on2)c1O
InChIInChI=1S/C14H17N3O4/c1-14(2,3)9-7-10(17-21-9)16-13(19)11-12(18)8(20-4)5-6-15-11/h5-7,18H,1-4H3,(H,16,17,19)
InChIKeyRYYGGZWWQYAEGS-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.33
Rot. Bonds3

About N-(5-tert-butyl-1,2-oxazol-3-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide (PubChem CID 21088891) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide
PubChem CID21088891
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)Nc2cc(C(C)(C)C)on2)c1O
InChIInChI=1S/C14H17N3O4/c1-14(2,3)9-7-10(17-21-9)16-13(19)11-12(18)8(20-4)5-6-15-11/h5-7,18H,1-4H3,(H,16,17,19)
InChIKeyRYYGGZWWQYAEGS-UHFFFAOYSA-N
XLogP2.33
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide (CID 21088891) is N-(5-tert-butyl-1,2-oxazol-3-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide is COc1ccnc(C(=O)Nc2cc(C(C)(C)C)on2)c1O.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide?
The InChIKey is RYYGGZWWQYAEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-14(2,3)9-7-10(17-21-9)16-13(19)11-12(18)8(20-4)5-6-15-11/h5-7,18H,1-4H3,(H,16,17,19).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 21088891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).