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

C18H20ClF2N3O2 — CID 167081478

IUPACN-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-3,3-difluorocyclopentane-1-carboxamide
SMILESO=C(NC1CCN(c2nc3cc(Cl)ccc3o2)CC1)C1CCC(F)(F)C1
InChIInChI=1S/C18H20ClF2N3O2/c19-12-1-2-15-14(9-12)23-17(26-15)24-7-4-13(5-8-24)22-16(25)11-3-6-18(20,21)10-11/h1-2,9,11,13H,3-8,10H2,(H,22,25)
InChIKeyVIFSADFXADEUNX-UHFFFAOYSA-N
MW383.83 g/mol
LogP4.00
Rot. Bonds3

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

N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-3,3-difluorocyclopentane-1-carboxamide (PubChem CID 167081478) has the molecular formula C18H20ClF2N3O2 and a molecular weight of 383.83 g/mol. Its IUPAC name is N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-3,3-difluorocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-3,3-difluorocyclopentane-1-carboxamide
PubChem CID167081478
Molecular FormulaC18H20ClF2N3O2
Molecular Weight383.83 g/mol
Exact Mass383.12
IUPAC NameN-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-3,3-difluorocyclopentane-1-carboxamide
SMILESO=C(NC1CCN(c2nc3cc(Cl)ccc3o2)CC1)C1CCC(F)(F)C1
InChIInChI=1S/C18H20ClF2N3O2/c19-12-1-2-15-14(9-12)23-17(26-15)24-7-4-13(5-8-24)22-16(25)11-3-6-18(20,21)10-11/h1-2,9,11,13H,3-8,10H2,(H,22,25)
InChIKeyVIFSADFXADEUNX-UHFFFAOYSA-N
XLogP4.00
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.83
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-3,3-difluorocyclopentane-1-carboxamide with MolForge

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Related Compounds

1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163349240
N-[2-(5-chloro-1,3-benzoxazol-2-yl)-2-azaspiro[3.3]heptan-6-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 163367667
N-[2-(5-chloro-1,3-benzoxazol-2-yl)-2-azaspiro[3.3]heptan-6-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 163367723
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)-N-[(1R,2R)-2-methylcyclopentyl]piperidine-4-carboxamide
CID 129373214
4-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopentylpiperazine-1-carboxamide
CID 71520912
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 166603296
2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165432232
N-[2-(5-chloro-1,3-benzoxazol-2-yl)-2-azaspiro[3.3]heptan-6-yl]-1-oxothiolane-3-carboxamide
CID 163367705
1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-phenylcyclopentyl]piperidine-4-carboxamide
CID 129373216
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide
CID 154883057
[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
CID 172882629

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-3,3-difluorocyclopentane-1-carboxamide?
The IUPAC name of N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-3,3-difluorocyclopentane-1-carboxamide (CID 167081478) is N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-3,3-difluorocyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-3,3-difluorocyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-3,3-difluorocyclopentane-1-carboxamide is O=C(NC1CCN(c2nc3cc(Cl)ccc3o2)CC1)C1CCC(F)(F)C1.
What is the InChIKey of N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-3,3-difluorocyclopentane-1-carboxamide?
The InChIKey is VIFSADFXADEUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF2N3O2/c19-12-1-2-15-14(9-12)23-17(26-15)24-7-4-13(5-8-24)22-16(25)11-3-6-18(20,21)10-11/h1-2,9,11,13H,3-8,10H2,(H,22,25).
What are the key properties of N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-3,3-difluorocyclopentane-1-carboxamide?
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-3,3-difluorocyclopentane-1-carboxamide has a molecular weight of 383.83 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-3,3-difluorocyclopentane-1-carboxamide is sourced from PubChem (CID 167081478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).