N-(4-phenylbutan-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide

C19H19N5O3 — CID 71788453

IUPACN-(4-phenylbutan-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1coc(NC(=O)c2cnccn2)n1
InChIInChI=1S/C19H19N5O3/c1-13(7-8-14-5-3-2-4-6-14)22-18(26)16-12-27-19(23-16)24-17(25)15-11-20-9-10-21-15/h2-6,9-13H,7-8H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyHBPIFLLKGKVYMM-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.47
Rot. Bonds7

About N-(4-phenylbutan-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide

N-(4-phenylbutan-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 71788453) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
PubChem CID71788453
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-(4-phenylbutan-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1coc(NC(=O)c2cnccn2)n1
InChIInChI=1S/C19H19N5O3/c1-13(7-8-14-5-3-2-4-6-14)22-18(26)16-12-27-19(23-16)24-17(25)15-11-20-9-10-21-15/h2-6,9-13H,7-8H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyHBPIFLLKGKVYMM-UHFFFAOYSA-N
XLogP2.47
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 71788502
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 71788477
N-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785669
5-(methylamino)-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide
CID 107375133
2-(phenoxymethyl)-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-oxazole-4-carboxamide
CID 45236623
N-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 40819927
2-(furan-2-carbonylamino)-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 90515122
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
N-(2-benzylphenyl)pyrazine-2-carboxamide
CID 1247505
N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide
CID 7416160
[1-[[3-methoxy-2-(pyrazine-2-carbonylamino)propanoyl]amino]-4-phenylbutyl]boronic acid
CID 174051799
[4-methyl-1-[[3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]pentyl]boronic acid
CID 123996973

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-phenylbutan-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide (CID 71788453) is N-(4-phenylbutan-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide is CC(CCc1ccccc1)NC(=O)c1coc(NC(=O)c2cnccn2)n1.
What is the InChIKey of N-(4-phenylbutan-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is HBPIFLLKGKVYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-13(7-8-14-5-3-2-4-6-14)22-18(26)16-12-27-19(23-16)24-17(25)15-11-20-9-10-21-15/h2-6,9-13H,7-8H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of N-(4-phenylbutan-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide?
N-(4-phenylbutan-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71788453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).