(5R)-5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide

C16H18N4O2 — CID 95171775

IUPAC(5R)-5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCC(C)n1cc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)cn1
InChIInChI=1S/C16H18N4O2/c1-11(2)20-10-13(9-17-20)18-16(21)14-8-15(22-19-14)12-6-4-3-5-7-12/h3-7,9-11,15H,8H2,1-2H3,(H,18,21)/t15-/m1/s1
InChIKeyPEAQBLOCLFOYHJ-OAHLLOKOSA-N
MW298.35 g/mol
LogP2.92
Rot. Bonds4

About (5R)-5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide

(5R)-5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 95171775) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (5R)-5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID95171775
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name(5R)-5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCC(C)n1cc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)cn1
InChIInChI=1S/C16H18N4O2/c1-11(2)20-10-13(9-17-20)18-16(21)14-8-15(22-19-14)12-6-4-3-5-7-12/h3-7,9-11,15H,8H2,1-2H3,(H,18,21)/t15-/m1/s1
InChIKeyPEAQBLOCLFOYHJ-OAHLLOKOSA-N
XLogP2.92
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylphenyl)-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167930152
5-phenyl-N-(2-propan-2-yl-4-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167979333
trans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95171765
5-phenyl-N-pyridin-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167954246
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 60525056
(5R)-N-(6-chloro-2-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 124508168
5-phenyl-N-(1-propylbenzimidazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 60525157
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 49033506
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 55865249
2-anilino-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 55132216
methyl 4-[[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate
CID 94463007
N-(2-bromo-4,5-dimethoxyphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 71886872

Frequently Asked Questions

What is the IUPAC name of (5R)-5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of (5R)-5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 95171775) is (5R)-5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for (5R)-5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for (5R)-5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide is CC(C)n1cc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)cn1.
What is the InChIKey of (5R)-5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is PEAQBLOCLFOYHJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11(2)20-10-13(9-17-20)18-16(21)14-8-15(22-19-14)12-6-4-3-5-7-12/h3-7,9-11,15H,8H2,1-2H3,(H,18,21)/t15-/m1/s1.
What are the key properties of (5R)-5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
(5R)-5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95171775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).