N-[5-(butylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2-methyl-1,3-oxazole-4-carboxamide

C27H33N5O3 — CID 130372949

IUPACN-[5-(butylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCCCCNC(=O)c1ccc(N2CCN(c3ccccc3C)CC2)c(NC(=O)c2coc(C)n2)c1
InChIInChI=1S/C27H33N5O3/c1-4-5-12-28-26(33)21-10-11-25(22(17-21)30-27(34)23-18-35-20(3)29-23)32-15-13-31(14-16-32)24-9-7-6-8-19(24)2/h6-11,17-18H,4-5,12-16H2,1-3H3,(H,28,33)(H,30,34)
InChIKeyWBTSZBOVIWLPEN-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.40
Rot. Bonds8

About N-[5-(butylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2-methyl-1,3-oxazole-4-carboxamide

N-[5-(butylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 130372949) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[5-(butylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(butylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2-methyl-1,3-oxazole-4-carboxamide
PubChem CID130372949
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC NameN-[5-(butylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCCCCNC(=O)c1ccc(N2CCN(c3ccccc3C)CC2)c(NC(=O)c2coc(C)n2)c1
InChIInChI=1S/C27H33N5O3/c1-4-5-12-28-26(33)21-10-11-25(22(17-21)30-27(34)23-18-35-20(3)29-23)32-15-13-31(14-16-32)24-9-7-6-8-19(24)2/h6-11,17-18H,4-5,12-16H2,1-3H3,(H,28,33)(H,30,34)
InChIKeyWBTSZBOVIWLPEN-UHFFFAOYSA-N
XLogP4.40
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[5-[3-(3-methyl-2-oxoimidazolidin-1-yl)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 71234558
2-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide
CID 71234139
N-butyl-4-[4-(2-methylphenyl)piperazin-1-yl]-3-[[(Z)-2-(propan-2-ylideneamino)but-2-enoyl]amino]benzamide
CID 130372728
2-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 71234234
tert-butyl N-[3-[[3-[(5-ethylfuran-2-carbonyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]benzoyl]amino]propyl]carbamate
CID 71226617
2-methyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 71233957
tert-butyl N-[6-[[3-[(5-methylfuran-2-carbonyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]benzoyl]amino]hexyl]carbamate
CID 71236149
5-bromo-N-[5-[3-(2,5-dihydroxypyrrol-1-yl)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 123310777
N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(prop-2-enylcarbamoylamino)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 71488103
N-[5-[3-(cyclohexylmethylcarbamoylamino)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 71234414
3-[(2-fluorobenzoyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 130372829
2-cyclopropyl-N-[5-[[2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 71234222

Frequently Asked Questions

What is the IUPAC name of N-[5-(butylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[5-(butylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2-methyl-1,3-oxazole-4-carboxamide (CID 130372949) is N-[5-(butylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-(butylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[5-(butylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2-methyl-1,3-oxazole-4-carboxamide is CCCCNC(=O)c1ccc(N2CCN(c3ccccc3C)CC2)c(NC(=O)c2coc(C)n2)c1.
What is the InChIKey of N-[5-(butylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is WBTSZBOVIWLPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-4-5-12-28-26(33)21-10-11-25(22(17-21)30-27(34)23-18-35-20(3)29-23)32-15-13-31(14-16-32)24-9-7-6-8-19(24)2/h6-11,17-18H,4-5,12-16H2,1-3H3,(H,28,33)(H,30,34).
What are the key properties of N-[5-(butylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2-methyl-1,3-oxazole-4-carboxamide?
N-[5-(butylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 130372949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).