N-benzyl-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H20N4O2 — CID 3241275

IUPACN-benzyl-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(C2=NOC(C(=O)NCc3ccccc3)C2)c1C
InChIInChI=1S/C17H20N4O2/c1-3-21-12(2)14(11-19-21)15-9-16(23-20-15)17(22)18-10-13-7-5-4-6-8-13/h4-8,11,16H,3,9-10H2,1-2H3,(H,18,22)
InChIKeyWOLPDLDVVLJEAU-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.02
Rot. Bonds5

About N-benzyl-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-benzyl-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3241275) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-benzyl-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3241275
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-benzyl-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(C2=NOC(C(=O)NCc3ccccc3)C2)c1C
InChIInChI=1S/C17H20N4O2/c1-3-21-12(2)14(11-19-21)15-9-16(23-20-15)17(22)18-10-13-7-5-4-6-8-13/h4-8,11,16H,3,9-10H2,1-2H3,(H,18,22)
InChIKeyWOLPDLDVVLJEAU-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carbonyl chloride
CID 97032907
(5R)-N-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638542
N-(1,3-benzodioxol-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3237410
(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
CID 40504811
(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
(5R)-3-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 129360275
N-(2-aminoethyl)-3-(1,5-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 25247777
(5S)-N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638425
(5R)-3-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638550
3-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 110244393
(5S)-3-(1-ethyl-3-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40642728
(5S)-N-ethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 93143687

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-benzyl-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3241275) is N-benzyl-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCn1ncc(C2=NOC(C(=O)NCc3ccccc3)C2)c1C.
What is the InChIKey of N-benzyl-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is WOLPDLDVVLJEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-3-21-12(2)14(11-19-21)15-9-16(23-20-15)17(22)18-10-13-7-5-4-6-8-13/h4-8,11,16H,3,9-10H2,1-2H3,(H,18,22).
What are the key properties of N-benzyl-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-benzyl-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3241275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).