6-[(3-butyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide

C17H23N3O4 — CID 75282014

IUPAC6-[(3-butyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide
SMILESCCCCc1nocc1COc1ccc(C(=O)NC(C)CO)cn1
InChIInChI=1S/C17H23N3O4/c1-3-4-5-15-14(11-24-20-15)10-23-16-7-6-13(8-18-16)17(22)19-12(2)9-21/h6-8,11-12,21H,3-5,9-10H2,1-2H3,(H,19,22)
InChIKeyMPUYOWCKMPQXLB-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.10
Rot. Bonds9

About 6-[(3-butyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide

6-[(3-butyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide (PubChem CID 75282014) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 6-[(3-butyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-butyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide
PubChem CID75282014
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name6-[(3-butyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide
SMILESCCCCc1nocc1COc1ccc(C(=O)NC(C)CO)cn1
InChIInChI=1S/C17H23N3O4/c1-3-4-5-15-14(11-24-20-15)10-23-16-7-6-13(8-18-16)17(22)19-12(2)9-21/h6-8,11-12,21H,3-5,9-10H2,1-2H3,(H,19,22)
InChIKeyMPUYOWCKMPQXLB-UHFFFAOYSA-N
XLogP2.10
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(E)-2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethenyl]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide
CID 46872520
6-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79031520
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide
CID 59568392
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 66598335
4-butoxy-N-(1-hydroxypropan-2-yl)-3-methoxybenzamide
CID 78856853
6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide
CID 78887929
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
CID 59568543
N-(1-hydroxypropan-2-yl)-4-propoxybenzamide
CID 43418970
2-chloro-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-5-carboxamide
CID 130550792
3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840
N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 24603270
6-(diethylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 47080109

Frequently Asked Questions

What is the IUPAC name of 6-[(3-butyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[(3-butyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide (CID 75282014) is 6-[(3-butyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3-butyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(3-butyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide is CCCCc1nocc1COc1ccc(C(=O)NC(C)CO)cn1.
What is the InChIKey of 6-[(3-butyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide?
The InChIKey is MPUYOWCKMPQXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-3-4-5-15-14(11-24-20-15)10-23-16-7-6-13(8-18-16)17(22)19-12(2)9-21/h6-8,11-12,21H,3-5,9-10H2,1-2H3,(H,19,22).
What are the key properties of 6-[(3-butyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide?
6-[(3-butyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-butyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 75282014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).