N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide

C21H29N3O5 — CID 26327679

IUPACN-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(OCc2cc(C(=O)NCCCN3CCCC[C@H]3CO)no2)c1
InChIInChI=1S/C21H29N3O5/c1-27-17-7-4-8-18(12-17)28-15-19-13-20(23-29-19)21(26)22-9-5-11-24-10-3-2-6-16(24)14-25/h4,7-8,12-13,16,25H,2-3,5-6,9-11,14-15H2,1H3,(H,22,26)/t16-/m0/s1
InChIKeySHQYHFQWGAGWIO-INIZCTEOSA-N
MW403.48 g/mol
LogP2.23
Rot. Bonds10

About N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide

N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 26327679) has the molecular formula C21H29N3O5 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID26327679
Molecular FormulaC21H29N3O5
Molecular Weight403.48 g/mol
Exact Mass403.21
IUPAC NameN-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(OCc2cc(C(=O)NCCCN3CCCC[C@H]3CO)no2)c1
InChIInChI=1S/C21H29N3O5/c1-27-17-7-4-8-18(12-17)28-15-19-13-20(23-29-19)21(26)22-9-5-11-24-10-3-2-6-16(24)14-25/h4,7-8,12-13,16,25H,2-3,5-6,9-11,14-15H2,1H3,(H,22,26)/t16-/m0/s1
InChIKeySHQYHFQWGAGWIO-INIZCTEOSA-N
XLogP2.23
TPSA97.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-acetylphenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 45250276
[4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42361769
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70770906
N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97126657
ethyl 2-[1-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate
CID 45185476
(4-cyclopentylpiperazin-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 24816881
N-cycloheptyl-N-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 56760301
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472943
3-(3,5-dimethoxyphenyl)-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-oxophthalazine-1-carboxamide
CID 20970836
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42120570
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyridine-4-carboxamide
CID 131945804
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126434930

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 26327679) is N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide is COc1cccc(OCc2cc(C(=O)NCCCN3CCCC[C@H]3CO)no2)c1.
What is the InChIKey of N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is SHQYHFQWGAGWIO-INIZCTEOSA-N. The full InChI is InChI=1S/C21H29N3O5/c1-27-17-7-4-8-18(12-17)28-15-19-13-20(23-29-19)21(26)22-9-5-11-24-10-3-2-6-16(24)14-25/h4,7-8,12-13,16,25H,2-3,5-6,9-11,14-15H2,1H3,(H,22,26)/t16-/m0/s1.
What are the key properties of N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 2.23, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 26327679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).