5-ethyl-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-oxazole-4-carboxamide

C19H25N3O3 — CID 84588040

IUPAC5-ethyl-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1
InChIInChI=1S/C19H25N3O3/c1-2-17-18(20-13-25-17)19(24)21-16-5-3-4-15(10-16)11-22-8-6-14(12-23)7-9-22/h3-5,10,13-14,23H,2,6-9,11-12H2,1H3,(H,21,24)
InChIKeyUXVKHGAPTYMIDM-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.69
Rot. Bonds6

About 5-ethyl-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-oxazole-4-carboxamide

5-ethyl-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 84588040) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-ethyl-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-oxazole-4-carboxamide
PubChem CID84588040
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name5-ethyl-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1
InChIInChI=1S/C19H25N3O3/c1-2-17-18(20-13-25-17)19(24)21-16-5-3-4-15(10-16)11-22-8-6-14(12-23)7-9-22/h3-5,10,13-14,23H,2,6-9,11-12H2,1H3,(H,21,24)
InChIKeyUXVKHGAPTYMIDM-UHFFFAOYSA-N
XLogP2.69
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 119872345
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 109478335
2-fluoro-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 110921235
3-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 119872361
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide
CID 71916687
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methylamino)butanamide
CID 119872315
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide
CID 110921226
(2S)-2-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-methylbutanamide
CID 119872351
3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111443078
2-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-2-phenylpropanamide;dihydrochloride
CID 120596313
2-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-2-phenylacetamide;dihydrochloride
CID 119872304
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 110921212

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-oxazole-4-carboxamide (CID 84588040) is 5-ethyl-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-oxazole-4-carboxamide is CCc1ocnc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1.
What is the InChIKey of 5-ethyl-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is UXVKHGAPTYMIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-2-17-18(20-13-25-17)19(24)21-16-5-3-4-15(10-16)11-22-8-6-14(12-23)7-9-22/h3-5,10,13-14,23H,2,6-9,11-12H2,1H3,(H,21,24).
What are the key properties of 5-ethyl-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-oxazole-4-carboxamide?
5-ethyl-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 84588040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).