5-[(4-ethylpiperazin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide

C16H24N6O2 — CID 56706860

IUPAC5-[(4-ethylpiperazin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCN1CCN(Cc2cc(C(=O)NCc3cc(C)[nH]n3)no2)CC1
InChIInChI=1S/C16H24N6O2/c1-3-21-4-6-22(7-5-21)11-14-9-15(20-24-14)16(23)17-10-13-8-12(2)18-19-13/h8-9H,3-7,10-11H2,1-2H3,(H,17,23)(H,18,19)
InChIKeyRWWUDYOMSOXERI-UHFFFAOYSA-N
MW332.41 g/mol
LogP0.77
Rot. Bonds6

About 5-[(4-ethylpiperazin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide

5-[(4-ethylpiperazin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 56706860) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-[(4-ethylpiperazin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-ethylpiperazin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID56706860
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name5-[(4-ethylpiperazin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCN1CCN(Cc2cc(C(=O)NCc3cc(C)[nH]n3)no2)CC1
InChIInChI=1S/C16H24N6O2/c1-3-21-4-6-22(7-5-21)11-14-9-15(20-24-14)16(23)17-10-13-8-12(2)18-19-13/h8-9H,3-7,10-11H2,1-2H3,(H,17,23)(H,18,19)
InChIKeyRWWUDYOMSOXERI-UHFFFAOYSA-N
XLogP0.77
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-benzylpiperidin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
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5-[(4-ethylpiperazin-1-yl)methyl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 56751085
5-[(4-ethylpiperazin-1-yl)methyl]-N-[(2S)-5-methylhexan-2-yl]-1,2-oxazole-3-carboxamide
CID 95216294
5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 31017135
1-[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 55070286
5-[(4-ethylpiperazin-1-yl)methyl]-N-[(2R)-2-hydroxypropyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 95213339
5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
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5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63572291
[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 62417815
(4-ethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 53017422
2-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide (CID 56706860) is 5-[(4-ethylpiperazin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-ethylpiperazin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-ethylpiperazin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide is CCN1CCN(Cc2cc(C(=O)NCc3cc(C)[nH]n3)no2)CC1.
What is the InChIKey of 5-[(4-ethylpiperazin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is RWWUDYOMSOXERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-3-21-4-6-22(7-5-21)11-14-9-15(20-24-14)16(23)17-10-13-8-12(2)18-19-13/h8-9H,3-7,10-11H2,1-2H3,(H,17,23)(H,18,19).
What are the key properties of 5-[(4-ethylpiperazin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
5-[(4-ethylpiperazin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylpiperazin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56706860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).