3-(5-bromothiophen-2-yl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide

C15H18BrN3O3S — CID 53052780

IUPAC3-(5-bromothiophen-2-yl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(Br)s2)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C15H18BrN3O3S/c1-10-13(14(18-22-10)11-2-3-12(16)23-11)15(20)17-4-5-19-6-8-21-9-7-19/h2-3H,4-9H2,1H3,(H,17,20)
InChIKeyPBJRKUYDKAMEAA-UHFFFAOYSA-N
MW400.30 g/mol
LogP2.54
Rot. Bonds5

About 3-(5-bromothiophen-2-yl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide

3-(5-bromothiophen-2-yl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide (PubChem CID 53052780) has the molecular formula C15H18BrN3O3S and a molecular weight of 400.30 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
PubChem CID53052780
Molecular FormulaC15H18BrN3O3S
Molecular Weight400.30 g/mol
Exact Mass399.03
IUPAC Name3-(5-bromothiophen-2-yl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(Br)s2)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C15H18BrN3O3S/c1-10-13(14(18-22-10)11-2-3-12(16)23-11)15(20)17-4-5-19-6-8-21-9-7-19/h2-3H,4-9H2,1H3,(H,17,20)
InChIKeyPBJRKUYDKAMEAA-UHFFFAOYSA-N
XLogP2.54
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(furan-2-yl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 110682399
3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 656333
3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 50805738
3-(5-bromothiophen-2-yl)-N-[(2S)-butan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 95063974
3-(5-bromothiophen-2-yl)-N-butan-2-yl-5-methyl-1,2-oxazole-4-carboxamide
CID 53052713
3-(5-bromothiophen-2-yl)-N-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 53052728
5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 53013333
3-(5-bromothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 53052765
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-(2-bromophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 53052712
3-(2-fluorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)-1,2-oxazole-4-carboxamide
CID 50805656
3-(2,6-dichlorophenyl)-N-[2-[4-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4576801

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(5-bromothiophen-2-yl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide (CID 53052780) is 3-(5-bromothiophen-2-yl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccc(Br)s2)c1C(=O)NCCN1CCOCC1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is PBJRKUYDKAMEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O3S/c1-10-13(14(18-22-10)11-2-3-12(16)23-11)15(20)17-4-5-19-6-8-21-9-7-19/h2-3H,4-9H2,1H3,(H,17,20).
What are the key properties of 3-(5-bromothiophen-2-yl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide?
3-(5-bromothiophen-2-yl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 400.30 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 53052780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).