2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide

C19H24ClN3O3 — CID 165432232

IUPAC2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESO=C(CC1CCN(c2nc3cc(Cl)ccc3o2)CC1)NC1CCOCC1
InChIInChI=1S/C19H24ClN3O3/c20-14-1-2-17-16(12-14)22-19(26-17)23-7-3-13(4-8-23)11-18(24)21-15-5-9-25-10-6-15/h1-2,12-13,15H,3-11H2,(H,21,24)
InChIKeyFFBWMFVIJOBAPF-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.38
Rot. Bonds4

About 2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide

2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide (PubChem CID 165432232) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
PubChem CID165432232
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESO=C(CC1CCN(c2nc3cc(Cl)ccc3o2)CC1)NC1CCOCC1
InChIInChI=1S/C19H24ClN3O3/c20-14-1-2-17-16(12-14)22-19(26-17)23-7-3-13(4-8-23)11-18(24)21-15-5-9-25-10-6-15/h1-2,12-13,15H,3-11H2,(H,21,24)
InChIKeyFFBWMFVIJOBAPF-UHFFFAOYSA-N
XLogP3.38
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163349240
1-(6-chloro-1,3-benzoxazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 154822947
[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
CID 172882629
N-cyclopentyl-2-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]acetamide
CID 171994846
4-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopentylpiperazine-1-carboxamide
CID 71520912
5-[[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 163367580
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-3,3-difluorocyclopentane-1-carboxamide
CID 167081478
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide
CID 154883057
ethyl 1-(5-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 46735169
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 166603296
5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole
CID 119084724
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-2-ethoxypyridine-4-carboxamide
CID 167081487

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide (CID 165432232) is 2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide is O=C(CC1CCN(c2nc3cc(Cl)ccc3o2)CC1)NC1CCOCC1.
What is the InChIKey of 2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is FFBWMFVIJOBAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c20-14-1-2-17-16(12-14)22-19(26-17)23-7-3-13(4-8-23)11-18(24)21-15-5-9-25-10-6-15/h1-2,12-13,15H,3-11H2,(H,21,24).
What are the key properties of 2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 377.87 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 165432232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).