N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C16H17FN2O3 — CID 99619846

IUPACN-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N[C@@H](C)CC(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C16H17FN2O3/c1-9(8-14(20)12-4-6-13(17)7-5-12)18-16(21)15-10(2)19-11(3)22-15/h4-7,9H,8H2,1-3H3,(H,18,21)/t9-/m0/s1
InChIKeyDYFMYWAATIHFEB-VIFPVBQESA-N
MW304.32 g/mol
LogP2.82
Rot. Bonds5

About N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 99619846) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID99619846
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC NameN-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N[C@@H](C)CC(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C16H17FN2O3/c1-9(8-14(20)12-4-6-13(17)7-5-12)18-16(21)15-10(2)19-11(3)22-15/h4-7,9H,8H2,1-3H3,(H,18,21)/t9-/m0/s1
InChIKeyDYFMYWAATIHFEB-VIFPVBQESA-N
XLogP2.82
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 99619846) is N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)N[C@@H](C)CC(=O)c2ccc(F)cc2)o1.
What is the InChIKey of N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is DYFMYWAATIHFEB-VIFPVBQESA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-9(8-14(20)12-4-6-13(17)7-5-12)18-16(21)15-10(2)19-11(3)22-15/h4-7,9H,8H2,1-3H3,(H,18,21)/t9-/m0/s1.
What are the key properties of N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 99619846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).