N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

C19H25N3O3 — CID 95159322

IUPACN-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCOCCN1CC[C@@H](CNC(=O)Cc2coc(-c3ccccc3)n2)C1
InChIInChI=1S/C19H25N3O3/c1-24-10-9-22-8-7-15(13-22)12-20-18(23)11-17-14-25-19(21-17)16-5-3-2-4-6-16/h2-6,14-15H,7-13H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyNLMSSUODFUHLAI-HNNXBMFYSA-N
MW343.43 g/mol
LogP1.97
Rot. Bonds8

About N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 95159322) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID95159322
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCOCCN1CC[C@@H](CNC(=O)Cc2coc(-c3ccccc3)n2)C1
InChIInChI=1S/C19H25N3O3/c1-24-10-9-22-8-7-15(13-22)12-20-18(23)11-17-14-25-19(21-17)16-5-3-2-4-6-16/h2-6,14-15H,7-13H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyNLMSSUODFUHLAI-HNNXBMFYSA-N
XLogP1.97
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 49093763
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide
CID 95238690
N-[(1-ethylpiperidin-3-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 75419987
3-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid
CID 166615660
N-(1-benzylpiperidin-4-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 38548867
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 86945002
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 91836659
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(2-phenylethyl)piperidine-1-carboxamide
CID 126449856
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 71879874
2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide
CID 39436445
1-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 72885243
4-bromo-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 95238744

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (CID 95159322) is N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is COCCN1CC[C@@H](CNC(=O)Cc2coc(-c3ccccc3)n2)C1.
What is the InChIKey of N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is NLMSSUODFUHLAI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-24-10-9-22-8-7-15(13-22)12-20-18(23)11-17-14-25-19(21-17)16-5-3-2-4-6-16/h2-6,14-15H,7-13H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 343.43 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 95159322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).