N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide

C18H15FN2O2 — CID 100771614

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESC[C@H](NC(=O)c1conc1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O2/c1-12(13-7-9-15(19)10-8-13)20-18(22)16-11-23-21-17(16)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,22)/t12-/m0/s1
InChIKeyHMCPYBMYJFNNFZ-LBPRGKRZSA-N
MW310.33 g/mol
LogP3.97
Rot. Bonds4

About N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 100771614) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID100771614
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESC[C@H](NC(=O)c1conc1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O2/c1-12(13-7-9-15(19)10-8-13)20-18(22)16-11-23-21-17(16)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,22)/t12-/m0/s1
InChIKeyHMCPYBMYJFNNFZ-LBPRGKRZSA-N
XLogP3.97
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide (CID 100771614) is N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide is C[C@H](NC(=O)c1conc1-c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is HMCPYBMYJFNNFZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-12(13-7-9-15(19)10-8-13)20-18(22)16-11-23-21-17(16)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,22)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 100771614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).