2-[[(2-bromophenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide

C18H23BrN4O3 — CID 3658144

IUPAC2-[[(2-bromophenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
SMILESCCCNC(=O)c1coc(CN(CCC)C(=O)Nc2ccccc2Br)n1
InChIInChI=1S/C18H23BrN4O3/c1-3-9-20-17(24)15-12-26-16(21-15)11-23(10-4-2)18(25)22-14-8-6-5-7-13(14)19/h5-8,12H,3-4,9-11H2,1-2H3,(H,20,24)(H,22,25)
InChIKeyQJAZXHBLVXPMAN-UHFFFAOYSA-N
MW423.31 g/mol
LogP4.02
Rot. Bonds8

About 2-[[(2-bromophenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide

2-[[(2-bromophenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide (PubChem CID 3658144) has the molecular formula C18H23BrN4O3 and a molecular weight of 423.31 g/mol. Its IUPAC name is 2-[[(2-bromophenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(2-bromophenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
PubChem CID3658144
Molecular FormulaC18H23BrN4O3
Molecular Weight423.31 g/mol
Exact Mass422.10
IUPAC Name2-[[(2-bromophenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
SMILESCCCNC(=O)c1coc(CN(CCC)C(=O)Nc2ccccc2Br)n1
InChIInChI=1S/C18H23BrN4O3/c1-3-9-20-17(24)15-12-26-16(21-15)11-23(10-4-2)18(25)22-14-8-6-5-7-13(14)19/h5-8,12H,3-4,9-11H2,1-2H3,(H,20,24)(H,22,25)
InChIKeyQJAZXHBLVXPMAN-UHFFFAOYSA-N
XLogP4.02
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2-bromophenyl)carbamoyl-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 1195825
2-[[(2-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 3891590
2-[[propanoyl(propyl)amino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 42766155
2-[[(3-methoxyphenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 5016026
2-[[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 3396916
2-[[(4-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 4221423
N-(3-ethoxypropyl)-2-[[3-ethoxypropyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 3993680
2-[[(4-butylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 3902815
N-(3-ethoxypropyl)-2-[[3-ethoxypropyl(phenylcarbamoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3920716
2-[[(2-bromobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 5037359
N-propyl-2-[[propyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 42765731
methyl 2-[[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4265422

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-bromophenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[(2-bromophenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide (CID 3658144) is 2-[[(2-bromophenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[(2-bromophenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[(2-bromophenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide is CCCNC(=O)c1coc(CN(CCC)C(=O)Nc2ccccc2Br)n1.
What is the InChIKey of 2-[[(2-bromophenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide?
The InChIKey is QJAZXHBLVXPMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O3/c1-3-9-20-17(24)15-12-26-16(21-15)11-23(10-4-2)18(25)22-14-8-6-5-7-13(14)19/h5-8,12H,3-4,9-11H2,1-2H3,(H,20,24)(H,22,25).
What are the key properties of 2-[[(2-bromophenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide?
2-[[(2-bromophenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide has a molecular weight of 423.31 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-bromophenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3658144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).