N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide

C16H19N3O3 — CID 75435744

IUPACN-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCC(CO)CC1)c1ccon1
InChIInChI=1S/C16H19N3O3/c20-11-12-5-8-19(9-6-12)15-4-2-1-3-13(15)17-16(21)14-7-10-22-18-14/h1-4,7,10,12,20H,5-6,8-9,11H2,(H,17,21)
InChIKeyYUEDUSLNQSIAGJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.14
Rot. Bonds4

About N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide

N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 75435744) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide
PubChem CID75435744
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCC(CO)CC1)c1ccon1
InChIInChI=1S/C16H19N3O3/c20-11-12-5-8-19(9-6-12)15-4-2-1-3-13(15)17-16(21)14-7-10-22-18-14/h1-4,7,10,12,20H,5-6,8-9,11H2,(H,17,21)
InChIKeyYUEDUSLNQSIAGJ-UHFFFAOYSA-N
XLogP2.14
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]prop-2-enamide
CID 166414486
3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-2H-pyran-6-carboxamide
CID 143567083
3-hydroxy-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-5-methylbenzamide
CID 110016310
N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]acetamide
CID 68551320
5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684789
[1-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]piperidin-4-yl]methanol
CID 126803823
2-[4-(hydroxymethyl)piperidin-1-yl]phenol
CID 71530927
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 110932033
N-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 124565166
[1-(2-ethylphenyl)piperidin-4-yl]methanol
CID 117027933
[1-[2-[(2-methylpyrazol-3-yl)methylamino]phenyl]piperidin-4-yl]methanol
CID 75473179
2-(cyclohexylmethylamino)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 143665693

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide (CID 75435744) is N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide is O=C(Nc1ccccc1N1CCC(CO)CC1)c1ccon1.
What is the InChIKey of N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is YUEDUSLNQSIAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-11-12-5-8-19(9-6-12)15-4-2-1-3-13(15)17-16(21)14-7-10-22-18-14/h1-4,7,10,12,20H,5-6,8-9,11H2,(H,17,21).
What are the key properties of N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide?
N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75435744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).