2-[4-(2-ethoxyphenoxy)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C20H27N3O4 — CID 47532746

IUPAC2-[4-(2-ethoxyphenoxy)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCCOc1ccccc1OC1CCN(C(C)C(=O)Nc2cc(C)no2)CC1
InChIInChI=1S/C20H27N3O4/c1-4-25-17-7-5-6-8-18(17)26-16-9-11-23(12-10-16)15(3)20(24)21-19-13-14(2)22-27-19/h5-8,13,15-16H,4,9-12H2,1-3H3,(H,21,24)
InChIKeyDNIDNXGEKRROJV-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.25
Rot. Bonds7

About 2-[4-(2-ethoxyphenoxy)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

2-[4-(2-ethoxyphenoxy)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 47532746) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenoxy)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenoxy)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID47532746
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name2-[4-(2-ethoxyphenoxy)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCCOc1ccccc1OC1CCN(C(C)C(=O)Nc2cc(C)no2)CC1
InChIInChI=1S/C20H27N3O4/c1-4-25-17-7-5-6-8-18(17)26-16-9-11-23(12-10-16)15(3)20(24)21-19-13-14(2)22-27-19/h5-8,13,15-16H,4,9-12H2,1-3H3,(H,21,24)
InChIKeyDNIDNXGEKRROJV-UHFFFAOYSA-N
XLogP3.25
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 110019829
(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 25492854
(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720422
N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide
CID 55432413
N-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 75810083
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-ethoxyphenoxy)piperidin-1-yl]methanone
CID 56819044
(2R)-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 95148704
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 78896191
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 86916273
N-cyclopropyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazin-1-yl]propanamide
CID 86917144
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]propanamide
CID 95568099
(2S)-2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720356

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyphenoxy)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of 2-[4-(2-ethoxyphenoxy)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 47532746) is 2-[4-(2-ethoxyphenoxy)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for 2-[4-(2-ethoxyphenoxy)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for 2-[4-(2-ethoxyphenoxy)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is CCOc1ccccc1OC1CCN(C(C)C(=O)Nc2cc(C)no2)CC1.
What is the InChIKey of 2-[4-(2-ethoxyphenoxy)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is DNIDNXGEKRROJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-4-25-17-7-5-6-8-18(17)26-16-9-11-23(12-10-16)15(3)20(24)21-19-13-14(2)22-27-19/h5-8,13,15-16H,4,9-12H2,1-3H3,(H,21,24).
What are the key properties of 2-[4-(2-ethoxyphenoxy)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
2-[4-(2-ethoxyphenoxy)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 373.45 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenoxy)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 47532746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).