N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide

C23H25N3O5 — CID 134226866

IUPACN-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1cnc(-c2ccc(Oc3cccc(OCC4CC4)c3)nc2)o1
InChIInChI=1S/C23H25N3O5/c1-15(26-16(2)27)13-29-22-12-25-23(31-22)18-8-9-21(24-11-18)30-20-5-3-4-19(10-20)28-14-17-6-7-17/h3-5,8-12,15,17H,6-7,13-14H2,1-2H3,(H,26,27)/t15-/m0/s1
InChIKeyWVQMYHSGPKOODW-HNNXBMFYSA-N
MW423.47 g/mol
LogP4.22
Rot. Bonds10

About N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide

N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide (PubChem CID 134226866) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide
PubChem CID134226866
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC NameN-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1cnc(-c2ccc(Oc3cccc(OCC4CC4)c3)nc2)o1
InChIInChI=1S/C23H25N3O5/c1-15(26-16(2)27)13-29-22-12-25-23(31-22)18-8-9-21(24-11-18)30-20-5-3-4-19(10-20)28-14-17-6-7-17/h3-5,8-12,15,17H,6-7,13-14H2,1-2H3,(H,26,27)/t15-/m0/s1
InChIKeyWVQMYHSGPKOODW-HNNXBMFYSA-N
XLogP4.22
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Pyridine, 3-[5-[4-[(3-methyl-2-butenyl)oxy]phenyl]-2-oxazolyl]-
CID 617263
N-[1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472810
N-[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide
CID 134226781
[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]urea
CID 134226787
N-[4-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]butan-2-yl]acetamide
CID 134226791
N-[(2S)-1-[[2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide
CID 134226821
N-[(2R)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide
CID 134226826
5-(4-Propoxyphenyl)-2-pyridin-3-yl-1,3-oxazole
CID 137660479
5-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]-2-pyridin-3-yl-1,3-oxazole
CID 137649229
3-(5-{4-[(3,7-Dimethylocta-2,6-dien-1-YL)oxy]phenyl}-1,3-oxazol-2-YL)pyridine
CID 71326032
1-(6-Methoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide
CID 110198269
N-Cyclopropyl-1-(2,6-dimethoxypyridine-3-carbonyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide
CID 110198977

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide (CID 134226866) is N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide is CC(=O)N[C@@H](C)COc1cnc(-c2ccc(Oc3cccc(OCC4CC4)c3)nc2)o1.
What is the InChIKey of N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide?
The InChIKey is WVQMYHSGPKOODW-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-15(26-16(2)27)13-29-22-12-25-23(31-22)18-8-9-21(24-11-18)30-20-5-3-4-19(10-20)28-14-17-6-7-17/h3-5,8-12,15,17H,6-7,13-14H2,1-2H3,(H,26,27)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide?
N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide has a molecular weight of 423.47 g/mol, XLogP of 4.22, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide is sourced from PubChem (CID 134226866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).