N-(3-chloro-4-fluorophenyl)-5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide

C19H19ClFN3O3 — CID 46948575

IUPACN-(3-chloro-4-fluorophenyl)-5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cc(C2CCCN(C(=O)C3CC3)C2)on1
InChIInChI=1S/C19H19ClFN3O3/c20-14-8-13(5-6-15(14)21)22-18(25)16-9-17(27-23-16)12-2-1-7-24(10-12)19(26)11-3-4-11/h5-6,8-9,11-12H,1-4,7,10H2,(H,22,25)
InChIKeyFMSKWLDWZDFDQN-UHFFFAOYSA-N
MW391.83 g/mol
LogP3.84
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide

N-(3-chloro-4-fluorophenyl)-5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 46948575) has the molecular formula C19H19ClFN3O3 and a molecular weight of 391.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID46948575
Molecular FormulaC19H19ClFN3O3
Molecular Weight391.83 g/mol
Exact Mass391.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cc(C2CCCN(C(=O)C3CC3)C2)on1
InChIInChI=1S/C19H19ClFN3O3/c20-14-8-13(5-6-15(14)21)22-18(25)16-9-17(27-23-16)12-2-1-7-24(10-12)19(26)11-3-4-11/h5-6,8-9,11-12H,1-4,7,10H2,(H,22,25)
InChIKeyFMSKWLDWZDFDQN-UHFFFAOYSA-N
XLogP3.84
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.83
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide (CID 46948575) is N-(3-chloro-4-fluorophenyl)-5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cc(C2CCCN(C(=O)C3CC3)C2)on1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is FMSKWLDWZDFDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O3/c20-14-8-13(5-6-15(14)21)22-18(25)16-9-17(27-23-16)12-2-1-7-24(10-12)19(26)11-3-4-11/h5-6,8-9,11-12H,1-4,7,10H2,(H,22,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 391.83 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46948575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).