N-[3-[[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]carbamoylamino]methyl]phenyl]-2-pyrazol-1-ylacetamide

C20H25N7O3 — CID 86939160

IUPACN-[3-[[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]carbamoylamino]methyl]phenyl]-2-pyrazol-1-ylacetamide
SMILESCc1noc(C(NC(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)C(C)C)n1
InChIInChI=1S/C20H25N7O3/c1-13(2)18(19-23-14(3)26-30-19)25-20(29)21-11-15-6-4-7-16(10-15)24-17(28)12-27-9-5-8-22-27/h4-10,13,18H,11-12H2,1-3H3,(H,24,28)(H2,21,25,29)
InChIKeyBSQLTHKDKKWENS-UHFFFAOYSA-N
MW411.47 g/mol
LogP2.41
Rot. Bonds8

About N-[3-[[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]carbamoylamino]methyl]phenyl]-2-pyrazol-1-ylacetamide

N-[3-[[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]carbamoylamino]methyl]phenyl]-2-pyrazol-1-ylacetamide (PubChem CID 86939160) has the molecular formula C20H25N7O3 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-[3-[[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]carbamoylamino]methyl]phenyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[3-[[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]carbamoylamino]methyl]phenyl]-2-pyrazol-1-ylacetamide
PubChem CID86939160
Molecular FormulaC20H25N7O3
Molecular Weight411.47 g/mol
Exact Mass411.20
IUPAC NameN-[3-[[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]carbamoylamino]methyl]phenyl]-2-pyrazol-1-ylacetamide
SMILESCc1noc(C(NC(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)C(C)C)n1
InChIInChI=1S/C20H25N7O3/c1-13(2)18(19-23-14(3)26-30-19)25-20(29)21-11-15-6-4-7-16(10-15)24-17(28)12-27-9-5-8-22-27/h4-10,13,18H,11-12H2,1-3H3,(H,24,28)(H2,21,25,29)
InChIKeyBSQLTHKDKKWENS-UHFFFAOYSA-N
XLogP2.41
TPSA126.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide
CID 52719151
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3-(2-methylpropoxy)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55977960
2-amino-3-methoxy-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide
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N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzo[f]quinoline-5-carboxamide
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2-methyl-3-nitro-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55953520
N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]azocane-1-carboxamide
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1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 97242762
2-(4-ethoxyphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-4-carboxamide
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N-[3-[[[N-[(3-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 111877623
N-[3-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]carbamoylamino]methyl]phenyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[3-[[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]carbamoylamino]methyl]phenyl]-2-pyrazol-1-ylacetamide (CID 86939160) is N-[3-[[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]carbamoylamino]methyl]phenyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[3-[[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]carbamoylamino]methyl]phenyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[3-[[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]carbamoylamino]methyl]phenyl]-2-pyrazol-1-ylacetamide is Cc1noc(C(NC(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)C(C)C)n1.
What is the InChIKey of N-[3-[[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]carbamoylamino]methyl]phenyl]-2-pyrazol-1-ylacetamide?
The InChIKey is BSQLTHKDKKWENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3/c1-13(2)18(19-23-14(3)26-30-19)25-20(29)21-11-15-6-4-7-16(10-15)24-17(28)12-27-9-5-8-22-27/h4-10,13,18H,11-12H2,1-3H3,(H,24,28)(H2,21,25,29).
What are the key properties of N-[3-[[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]carbamoylamino]methyl]phenyl]-2-pyrazol-1-ylacetamide?
N-[3-[[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]carbamoylamino]methyl]phenyl]-2-pyrazol-1-ylacetamide has a molecular weight of 411.47 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]carbamoylamino]methyl]phenyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 86939160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).