N-[3-[4-[5-(fluoromethoxy)-2-methoxyphenyl]piperazin-1-yl]propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C26H31FN4O4 — CID 142654726

IUPACN-[3-[4-[5-(fluoromethoxy)-2-methoxyphenyl]piperazin-1-yl]propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(OCF)cc1N1CCN(CCCNC(=O)c2c(-c3ccccc3)noc2C)CC1
InChIInChI=1S/C26H31FN4O4/c1-19-24(25(29-35-19)20-7-4-3-5-8-20)26(32)28-11-6-12-30-13-15-31(16-14-30)22-17-21(34-18-27)9-10-23(22)33-2/h3-5,7-10,17H,6,11-16,18H2,1-2H3,(H,28,32)
InChIKeyNBKMOBDSQRELBZ-UHFFFAOYSA-N
MW482.56 g/mol
LogP3.91
Rot. Bonds10

About N-[3-[4-[5-(fluoromethoxy)-2-methoxyphenyl]piperazin-1-yl]propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[3-[4-[5-(fluoromethoxy)-2-methoxyphenyl]piperazin-1-yl]propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 142654726) has the molecular formula C26H31FN4O4 and a molecular weight of 482.56 g/mol. Its IUPAC name is N-[3-[4-[5-(fluoromethoxy)-2-methoxyphenyl]piperazin-1-yl]propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[5-(fluoromethoxy)-2-methoxyphenyl]piperazin-1-yl]propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID142654726
Molecular FormulaC26H31FN4O4
Molecular Weight482.56 g/mol
Exact Mass482.23
IUPAC NameN-[3-[4-[5-(fluoromethoxy)-2-methoxyphenyl]piperazin-1-yl]propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(OCF)cc1N1CCN(CCCNC(=O)c2c(-c3ccccc3)noc2C)CC1
InChIInChI=1S/C26H31FN4O4/c1-19-24(25(29-35-19)20-7-4-3-5-8-20)26(32)28-11-6-12-30-13-15-31(16-14-30)22-17-21(34-18-27)9-10-23(22)33-2/h3-5,7-10,17H,6,11-16,18H2,1-2H3,(H,28,32)
InChIKeyNBKMOBDSQRELBZ-UHFFFAOYSA-N
XLogP3.91
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 23447889
5-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 60516330
N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60532703
3-(2-chlorophenyl)-5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide
CID 42224430
N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-6-phenylpyridine-3-carboxamide
CID 59840227
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3,4,5-trimethoxybenzamide
CID 42224164
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-[2-[2-[2-[2-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzamide
CID 56837636
3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 50805738
5-methyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 22048939
4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 51354851
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 141363458

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[5-(fluoromethoxy)-2-methoxyphenyl]piperazin-1-yl]propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-[4-[5-(fluoromethoxy)-2-methoxyphenyl]piperazin-1-yl]propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 142654726) is N-[3-[4-[5-(fluoromethoxy)-2-methoxyphenyl]piperazin-1-yl]propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-[4-[5-(fluoromethoxy)-2-methoxyphenyl]piperazin-1-yl]propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-[4-[5-(fluoromethoxy)-2-methoxyphenyl]piperazin-1-yl]propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1ccc(OCF)cc1N1CCN(CCCNC(=O)c2c(-c3ccccc3)noc2C)CC1.
What is the InChIKey of N-[3-[4-[5-(fluoromethoxy)-2-methoxyphenyl]piperazin-1-yl]propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is NBKMOBDSQRELBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O4/c1-19-24(25(29-35-19)20-7-4-3-5-8-20)26(32)28-11-6-12-30-13-15-31(16-14-30)22-17-21(34-18-27)9-10-23(22)33-2/h3-5,7-10,17H,6,11-16,18H2,1-2H3,(H,28,32).
What are the key properties of N-[3-[4-[5-(fluoromethoxy)-2-methoxyphenyl]piperazin-1-yl]propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[3-[4-[5-(fluoromethoxy)-2-methoxyphenyl]piperazin-1-yl]propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 482.56 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[5-(fluoromethoxy)-2-methoxyphenyl]piperazin-1-yl]propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 142654726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).