(5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide

C18H16F2N2O2 — CID 100815919

IUPAC(5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESC[C@]1(C(=O)NCc2ccc(F)cc2)CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C18H16F2N2O2/c1-18(17(23)21-11-12-2-6-14(19)7-3-12)10-16(22-24-18)13-4-8-15(20)9-5-13/h2-9H,10-11H2,1H3,(H,21,23)/t18-/m1/s1
InChIKeyQVFZQYHARSOKGE-GOSISDBHSA-N
MW330.33 g/mol
LogP3.16
Rot. Bonds4

About (5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide

(5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 100815919) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is (5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
PubChem CID100815919
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC Name(5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESC[C@]1(C(=O)NCc2ccc(F)cc2)CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C18H16F2N2O2/c1-18(17(23)21-11-12-2-6-14(19)7-3-12)10-16(22-24-18)13-4-8-15(20)9-5-13/h2-9H,10-11H2,1H3,(H,21,23)/t18-/m1/s1
InChIKeyQVFZQYHARSOKGE-GOSISDBHSA-N
XLogP3.16
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-3-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-4H-1,2-oxazole-5-carboxamide
CID 100815912
(5R)-3-(4-fluorophenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide
CID 100815886
(5R)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815699
(5S)-3-(4-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815902
(5R)-3-(4-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide
CID 51498726
(5S)-N,N-diethyl-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815883
3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 102551797
(5R)-3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 100815723
(5S)-5-methyl-3-phenyl-N-(2-phenylethyl)-4H-1,2-oxazole-5-carboxamide
CID 97465490
3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 102551800
3-(4-fluorophenyl)-5-methyl-N-(1-methylpyrazol-3-yl)-4H-1,2-oxazole-5-carboxamide
CID 102551864
(5S)-3-(3-fluorophenyl)-5-methyl-N-[(5-methylfuran-2-yl)methyl]-4H-1,2-oxazole-5-carboxamide
CID 97465772

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide (CID 100815919) is (5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide is C[C@]1(C(=O)NCc2ccc(F)cc2)CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of (5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is QVFZQYHARSOKGE-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c1-18(17(23)21-11-12-2-6-14(19)7-3-12)10-16(22-24-18)13-4-8-15(20)9-5-13/h2-9H,10-11H2,1H3,(H,21,23)/t18-/m1/s1.
What are the key properties of (5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide?
(5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 330.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 100815919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).