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

C14H17FN2O2 — CID 100815886

IUPAC(5R)-3-(4-fluorophenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide
SMILESCCCNC(=O)[C@@]1(C)CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C14H17FN2O2/c1-3-8-16-13(18)14(2)9-12(17-19-14)10-4-6-11(15)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,16,18)/t14-/m1/s1
InChIKeyRWKVFTQYFTXJSQ-CQSZACIVSA-N
MW264.30 g/mol
LogP2.23
Rot. Bonds4

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

(5R)-3-(4-fluorophenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 100815886) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is (5R)-3-(4-fluorophenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(4-fluorophenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide
PubChem CID100815886
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name(5R)-3-(4-fluorophenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide
SMILESCCCNC(=O)[C@@]1(C)CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C14H17FN2O2/c1-3-8-16-13(18)14(2)9-12(17-19-14)10-4-6-11(15)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,16,18)/t14-/m1/s1
InChIKeyRWKVFTQYFTXJSQ-CQSZACIVSA-N
XLogP2.23
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
(5R)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815699
(5S)-3-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-4H-1,2-oxazole-5-carboxamide
CID 100815912
(5S)-N,N-diethyl-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815883
(5R)-3-(2-methoxyphenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide
CID 97465817
(5S)-5-methyl-3-phenyl-N-(2-phenylethyl)-4H-1,2-oxazole-5-carboxamide
CID 97465490
(5R)-3-(4-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide
CID 51498726
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
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

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-fluorophenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-(4-fluorophenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide (CID 100815886) is (5R)-3-(4-fluorophenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-(4-fluorophenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-(4-fluorophenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide is CCCNC(=O)[C@@]1(C)CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of (5R)-3-(4-fluorophenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is RWKVFTQYFTXJSQ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-3-8-16-13(18)14(2)9-12(17-19-14)10-4-6-11(15)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,16,18)/t14-/m1/s1.
What are the key properties of (5R)-3-(4-fluorophenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide?
(5R)-3-(4-fluorophenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 2.23, 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)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 100815886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).