(5S)-3-propan-2-yl-N-(2-pyridin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C14H19N3O2 — CID 164641091

IUPAC(5S)-3-propan-2-yl-N-(2-pyridin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)C1=NO[C@H](C(=O)NCCc2ccncc2)C1
InChIInChI=1S/C14H19N3O2/c1-10(2)12-9-13(19-17-12)14(18)16-8-5-11-3-6-15-7-4-11/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,16,18)/t13-/m0/s1
InChIKeyKNRQXVSFKDSWJR-ZDUSSCGKSA-N
MW261.32 g/mol
LogP1.54
Rot. Bonds5

About (5S)-3-propan-2-yl-N-(2-pyridin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-3-propan-2-yl-N-(2-pyridin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 164641091) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (5S)-3-propan-2-yl-N-(2-pyridin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-propan-2-yl-N-(2-pyridin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID164641091
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(5S)-3-propan-2-yl-N-(2-pyridin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)C1=NO[C@H](C(=O)NCCc2ccncc2)C1
InChIInChI=1S/C14H19N3O2/c1-10(2)12-9-13(19-17-12)14(18)16-8-5-11-3-6-15-7-4-11/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,16,18)/t13-/m0/s1
InChIKeyKNRQXVSFKDSWJR-ZDUSSCGKSA-N
XLogP1.54
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 131947453
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
[(1R,6S)-6-(2-pyridin-4-ylethylcarbamoyl)cyclohex-3-en-1-yl] acetate
CID 126515191
(5R)-3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95217301
2-fluoro-N-(2-pyridin-4-ylethyl)propanamide
CID 174360560
(3R)-N-(2-pyridin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61178668
3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 62727761
N-[[4-(phenoxymethyl)thiophen-2-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 131938183
(5R)-3-benzhydryl-N-(3-methylsulfanylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42438989
2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid
CID 62639385
cis-(1S,2R)-2-(2-pyridin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 713934
(5S)-N-[(1,5-dimethylindazol-3-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95200527

Frequently Asked Questions

What is the IUPAC name of (5S)-3-propan-2-yl-N-(2-pyridin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-propan-2-yl-N-(2-pyridin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 164641091) is (5S)-3-propan-2-yl-N-(2-pyridin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-propan-2-yl-N-(2-pyridin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-propan-2-yl-N-(2-pyridin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(C)C1=NO[C@H](C(=O)NCCc2ccncc2)C1.
What is the InChIKey of (5S)-3-propan-2-yl-N-(2-pyridin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is KNRQXVSFKDSWJR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(2)12-9-13(19-17-12)14(18)16-8-5-11-3-6-15-7-4-11/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,16,18)/t13-/m0/s1.
What are the key properties of (5S)-3-propan-2-yl-N-(2-pyridin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-3-propan-2-yl-N-(2-pyridin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-propan-2-yl-N-(2-pyridin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 164641091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).