5-(1-methylindazol-3-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide

C22H22N4O3 — CID 162644861

IUPAC5-(1-methylindazol-3-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
SMILESCn1nc(-c2cn(C(=O)NCCCCc3ccccc3)c(=O)o2)c2ccccc21
InChIInChI=1S/C22H22N4O3/c1-25-18-13-6-5-12-17(18)20(24-25)19-15-26(22(28)29-19)21(27)23-14-8-7-11-16-9-3-2-4-10-16/h2-6,9-10,12-13,15H,7-8,11,14H2,1H3,(H,23,27)
InChIKeyMCNQFWZMYGDJDC-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.58
Rot. Bonds6

About 5-(1-methylindazol-3-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide

5-(1-methylindazol-3-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide (PubChem CID 162644861) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 5-(1-methylindazol-3-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1-methylindazol-3-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
PubChem CID162644861
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name5-(1-methylindazol-3-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
SMILESCn1nc(-c2cn(C(=O)NCCCCc3ccccc3)c(=O)o2)c2ccccc21
InChIInChI=1S/C22H22N4O3/c1-25-18-13-6-5-12-17(18)20(24-25)19-15-26(22(28)29-19)21(27)23-14-8-7-11-16-9-3-2-4-10-16/h2-6,9-10,12-13,15H,7-8,11,14H2,1H3,(H,23,27)
InChIKeyMCNQFWZMYGDJDC-UHFFFAOYSA-N
XLogP3.58
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-{[(3-Fluorophenyl)methoxy]methyl}-1-methyl-N-(2-methylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridine-5-carboxamide
CID 53018366
N-(2-ethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018374
3-[(benzyloxy)methyl]-1-methyl-N-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018226
3-[(Benzyloxy)methyl]-N-(4-ethylphenyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridine-5-carboxamide
CID 53018230
3-[(Benzyloxy)methyl]-N-(2,3-dimethylphenyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridine-5-carboxamide
CID 53018238
3-[(Benzyloxy)methyl]-1-methyl-N-(2-methylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridine-5-carboxamide
CID 53018240
N-(4,4-difluorocyclohexyl)-4-[3-(methoxymethyl)-5-methylindazol-1-yl]piperidine-1-carboxamide
CID 71811992
tert-butyl N-[(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl]carbamate
CID 122494402
2-[(1-benzylindazol-3-yl)methoxy]-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 44217961
N-[[5-(1-ethylindazol-3-yl)-2-oxo-1,3-oxazolidin-3-yl]methyl]acetamide
CID 54359814
N-[[2-oxo-5-(1-propylindazol-3-yl)-1,3-oxazolidin-3-yl]methyl]acetamide
CID 54516440
3-(Aminomethyl)-5-(1-propylindazol-3-yl)-1,3-oxazolidin-2-one
CID 57060862

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylindazol-3-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
The IUPAC name of 5-(1-methylindazol-3-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide (CID 162644861) is 5-(1-methylindazol-3-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1-methylindazol-3-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
The canonical SMILES for 5-(1-methylindazol-3-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide is Cn1nc(-c2cn(C(=O)NCCCCc3ccccc3)c(=O)o2)c2ccccc21.
What is the InChIKey of 5-(1-methylindazol-3-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
The InChIKey is MCNQFWZMYGDJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-25-18-13-6-5-12-17(18)20(24-25)19-15-26(22(28)29-19)21(27)23-14-8-7-11-16-9-3-2-4-10-16/h2-6,9-10,12-13,15H,7-8,11,14H2,1H3,(H,23,27).
What are the key properties of 5-(1-methylindazol-3-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
5-(1-methylindazol-3-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylindazol-3-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide is sourced from PubChem (CID 162644861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).