(5R)-3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H20N4O2 — CID 95217301

IUPAC(5R)-3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)C1=NO[C@@H](C(=O)NCc2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C17H20N4O2/c1-12(2)15-10-16(23-20-15)17(22)18-11-13-5-3-6-14(9-13)21-8-4-7-19-21/h3-9,12,16H,10-11H2,1-2H3,(H,18,22)/t16-/m1/s1
InChIKeyFVFUNLHTBUDTLL-MRXNPFEDSA-N
MW312.37 g/mol
LogP2.29
Rot. Bonds5

About (5R)-3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 95217301) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (5R)-3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID95217301
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(5R)-3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)C1=NO[C@@H](C(=O)NCc2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C17H20N4O2/c1-12(2)15-10-16(23-20-15)17(22)18-11-13-5-3-6-14(9-13)21-8-4-7-19-21/h3-9,12,16H,10-11H2,1-2H3,(H,18,22)/t16-/m1/s1
InChIKeyFVFUNLHTBUDTLL-MRXNPFEDSA-N
XLogP2.29
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 95217301) is (5R)-3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(C)C1=NO[C@@H](C(=O)NCc2cccc(-n3cccn3)c2)C1.
What is the InChIKey of (5R)-3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is FVFUNLHTBUDTLL-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12(2)15-10-16(23-20-15)17(22)18-11-13-5-3-6-14(9-13)21-8-4-7-19-21/h3-9,12,16H,10-11H2,1-2H3,(H,18,22)/t16-/m1/s1.
What are the key properties of (5R)-3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95217301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).