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

C21H21ClFN3O2 — CID 56525283

IUPAC3-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-fluorophenyl)propanamide
SMILESO=C(CCN1CCC(c2nc3cc(Cl)ccc3o2)CC1)Nc1ccccc1F
InChIInChI=1S/C21H21ClFN3O2/c22-15-5-6-19-18(13-15)25-21(28-19)14-7-10-26(11-8-14)12-9-20(27)24-17-4-2-1-3-16(17)23/h1-6,13-14H,7-12H2,(H,24,27)
InChIKeyZLEKZHXKDGIISU-UHFFFAOYSA-N
MW401.87 g/mol
LogP4.83
Rot. Bonds5

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

3-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-fluorophenyl)propanamide (PubChem CID 56525283) has the molecular formula C21H21ClFN3O2 and a molecular weight of 401.87 g/mol. Its IUPAC name is 3-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-fluorophenyl)propanamide
PubChem CID56525283
Molecular FormulaC21H21ClFN3O2
Molecular Weight401.87 g/mol
Exact Mass401.13
IUPAC Name3-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-fluorophenyl)propanamide
SMILESO=C(CCN1CCC(c2nc3cc(Cl)ccc3o2)CC1)Nc1ccccc1F
InChIInChI=1S/C21H21ClFN3O2/c22-15-5-6-19-18(13-15)25-21(28-19)14-7-10-26(11-8-14)12-9-20(27)24-17-4-2-1-3-16(17)23/h1-6,13-14H,7-12H2,(H,24,27)
InChIKeyZLEKZHXKDGIISU-UHFFFAOYSA-N
XLogP4.83
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.87
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 56525206
3-[4-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-1-yl]propanoic acid
CID 82167824
2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 60512038
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 24589190
3-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-bromo-2-fluorophenyl)propanamide
CID 46402799
3-[[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]benzoic acid
CID 122028708
2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2,5-difluorophenyl)propanamide
CID 55766507
2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 55837853
N-(2-bromo-4-nitrophenyl)-2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]acetamide
CID 55838364
N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 56525471
3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-cyanophenyl)propanamide
CID 55521712
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-fluorophenyl)propanamide (CID 56525283) is 3-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-fluorophenyl)propanamide is O=C(CCN1CCC(c2nc3cc(Cl)ccc3o2)CC1)Nc1ccccc1F.
What is the InChIKey of 3-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-fluorophenyl)propanamide?
The InChIKey is ZLEKZHXKDGIISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3O2/c22-15-5-6-19-18(13-15)25-21(28-19)14-7-10-26(11-8-14)12-9-20(27)24-17-4-2-1-3-16(17)23/h1-6,13-14H,7-12H2,(H,24,27).
What are the key properties of 3-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-fluorophenyl)propanamide?
3-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-fluorophenyl)propanamide has a molecular weight of 401.87 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 56525283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).