(5S)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H18N6O3 — CID 93242422

IUPAC(5S)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(C2=NO[C@H](C(=O)Nc3cccc(-c4nnco4)c3)C2)c1C
InChIInChI=1S/C18H18N6O3/c1-3-24-11(2)14(9-20-24)15-8-16(27-23-15)17(25)21-13-6-4-5-12(7-13)18-22-19-10-26-18/h4-7,9-10,16H,3,8H2,1-2H3,(H,21,25)/t16-/m0/s1
InChIKeyRVLIAZZRRLGBST-INIZCTEOSA-N
MW366.38 g/mol
LogP2.39
Rot. Bonds5

About (5S)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 93242422) has the molecular formula C18H18N6O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is (5S)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID93242422
Molecular FormulaC18H18N6O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC Name(5S)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(C2=NO[C@H](C(=O)Nc3cccc(-c4nnco4)c3)C2)c1C
InChIInChI=1S/C18H18N6O3/c1-3-24-11(2)14(9-20-24)15-8-16(27-23-15)17(25)21-13-6-4-5-12(7-13)18-22-19-10-26-18/h4-7,9-10,16H,3,8H2,1-2H3,(H,21,25)/t16-/m0/s1
InChIKeyRVLIAZZRRLGBST-INIZCTEOSA-N
XLogP2.39
TPSA107.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
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N-benzyl-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
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(5R)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 93242422) is (5S)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CCn1ncc(C2=NO[C@H](C(=O)Nc3cccc(-c4nnco4)c3)C2)c1C.
What is the InChIKey of (5S)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is RVLIAZZRRLGBST-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N6O3/c1-3-24-11(2)14(9-20-24)15-8-16(27-23-15)17(25)21-13-6-4-5-12(7-13)18-22-19-10-26-18/h4-7,9-10,16H,3,8H2,1-2H3,(H,21,25)/t16-/m0/s1.
What are the key properties of (5S)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 93242422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).