(5S)-3-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-4H-1,2-oxazole-5-carboxamide

C17H16FN3O2 — CID 100815912

IUPAC(5S)-3-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-4H-1,2-oxazole-5-carboxamide
SMILESC[C@@]1(C(=O)NCc2cccnc2)CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C17H16FN3O2/c1-17(16(22)20-11-12-3-2-8-19-10-12)9-15(21-23-17)13-4-6-14(18)7-5-13/h2-8,10H,9,11H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyRMPHBACFCRHIIE-KRWDZBQOSA-N
MW313.33 g/mol
LogP2.42
Rot. Bonds4

About (5S)-3-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-4H-1,2-oxazole-5-carboxamide

(5S)-3-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-4H-1,2-oxazole-5-carboxamide (PubChem CID 100815912) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is (5S)-3-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-4H-1,2-oxazole-5-carboxamide
PubChem CID100815912
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name(5S)-3-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-4H-1,2-oxazole-5-carboxamide
SMILESC[C@@]1(C(=O)NCc2cccnc2)CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C17H16FN3O2/c1-17(16(22)20-11-12-3-2-8-19-10-12)9-15(21-23-17)13-4-6-14(18)7-5-13/h2-8,10H,9,11H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyRMPHBACFCRHIIE-KRWDZBQOSA-N
XLogP2.42
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815919
(5S)-3-(4-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815902
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 51155660
1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976772
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109021011
(2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347875
(1R,4R)-4,7,7-trimethyl-3-oxo-N-(pyridin-3-ylmethyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 6543993
3-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42758604
2-methyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide
CID 110094614
3,5-dimethyl-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide
CID 6468967
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)urea
CID 108865842

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-4H-1,2-oxazole-5-carboxamide (CID 100815912) is (5S)-3-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-4H-1,2-oxazole-5-carboxamide is C[C@@]1(C(=O)NCc2cccnc2)CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of (5S)-3-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-4H-1,2-oxazole-5-carboxamide?
The InChIKey is RMPHBACFCRHIIE-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-17(16(22)20-11-12-3-2-8-19-10-12)9-15(21-23-17)13-4-6-14(18)7-5-13/h2-8,10H,9,11H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (5S)-3-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-4H-1,2-oxazole-5-carboxamide?
(5S)-3-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-4H-1,2-oxazole-5-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 100815912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).