6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide

C19H25N3O4 — CID 59568543

IUPAC6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
SMILESCCCCc1noc(C)c1COc1ccc(C(=O)N[C@H]2CCOC2)cn1
InChIInChI=1S/C19H25N3O4/c1-3-4-5-17-16(13(2)26-22-17)12-25-18-7-6-14(10-20-18)19(23)21-15-8-9-24-11-15/h6-7,10,15H,3-5,8-9,11-12H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyUJNVUMDMUNHYFT-HNNXBMFYSA-N
MW359.43 g/mol
LogP2.82
Rot. Bonds8

About 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide

6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide (PubChem CID 59568543) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
PubChem CID59568543
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
SMILESCCCCc1noc(C)c1COc1ccc(C(=O)N[C@H]2CCOC2)cn1
InChIInChI=1S/C19H25N3O4/c1-3-4-5-17-16(13(2)26-22-17)12-25-18-7-6-14(10-20-18)19(23)21-15-8-9-24-11-15/h6-7,10,15H,3-5,8-9,11-12H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyUJNVUMDMUNHYFT-HNNXBMFYSA-N
XLogP2.82
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide (CID 59568543) is 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide is CCCCc1noc(C)c1COc1ccc(C(=O)N[C@H]2CCOC2)cn1.
What is the InChIKey of 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide?
The InChIKey is UJNVUMDMUNHYFT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-3-4-5-17-16(13(2)26-22-17)12-25-18-7-6-14(10-20-18)19(23)21-15-8-9-24-11-15/h6-7,10,15H,3-5,8-9,11-12H2,1-2H3,(H,21,23)/t15-/m0/s1.
What are the key properties of 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide?
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 59568543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).