2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]acetamide

C19H25N3O3 — CID 91780613

IUPAC2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]acetamide
SMILESO=C(Cc1noc2ccccc12)NC(C1CCNCC1)C1CC(O)C1
InChIInChI=1S/C19H25N3O3/c23-14-9-13(10-14)19(12-5-7-20-8-6-12)21-18(24)11-16-15-3-1-2-4-17(15)25-22-16/h1-4,12-14,19-20,23H,5-11H2,(H,21,24)
InChIKeyAINRVJYJMMAPNP-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.63
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]acetamide (PubChem CID 91780613) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]acetamide
PubChem CID91780613
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]acetamide
SMILESO=C(Cc1noc2ccccc12)NC(C1CCNCC1)C1CC(O)C1
InChIInChI=1S/C19H25N3O3/c23-14-9-13(10-14)19(12-5-7-20-8-6-12)21-18(24)11-16-15-3-1-2-4-17(15)25-22-16/h1-4,12-14,19-20,23H,5-11H2,(H,21,24)
InChIKeyAINRVJYJMMAPNP-UHFFFAOYSA-N
XLogP1.63
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-5-phenylpentanamide;hydrochloride
CID 154902204
2-(1,2-benzoxazol-3-yl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide
CID 98513197
2-(1,2-benzoxazol-3-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119444392
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647246
2-(1,2-benzoxazol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide
CID 154569542
2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide
CID 86843710
N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 91787162
2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120812591
2-(1,2-benzoxazol-3-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394354
N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 36573611
2-(1,2-benzoxazol-3-yl)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide
CID 94618514

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]acetamide (CID 91780613) is 2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]acetamide is O=C(Cc1noc2ccccc12)NC(C1CCNCC1)C1CC(O)C1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]acetamide?
The InChIKey is AINRVJYJMMAPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-14-9-13(10-14)19(12-5-7-20-8-6-12)21-18(24)11-16-15-3-1-2-4-17(15)25-22-16/h1-4,12-14,19-20,23H,5-11H2,(H,21,24).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]acetamide is sourced from PubChem (CID 91780613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).