N-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

C12H11BrN2O3 — CID 66158532

IUPACN-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)Nc2ccc(Br)cc2)no1
InChIInChI=1S/C12H11BrN2O3/c1-17-7-10-6-11(15-18-10)12(16)14-9-4-2-8(13)3-5-9/h2-6H,7H2,1H3,(H,14,16)
InChIKeyUETVMVLIAWJONV-UHFFFAOYSA-N
MW311.14 g/mol
LogP2.84
Rot. Bonds4

About N-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

N-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 66158532) has the molecular formula C12H11BrN2O3 and a molecular weight of 311.14 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID66158532
Molecular FormulaC12H11BrN2O3
Molecular Weight311.14 g/mol
Exact Mass310.00
IUPAC NameN-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)Nc2ccc(Br)cc2)no1
InChIInChI=1S/C12H11BrN2O3/c1-17-7-10-6-11(15-18-10)12(16)14-9-4-2-8(13)3-5-9/h2-6H,7H2,1H3,(H,14,16)
InChIKeyUETVMVLIAWJONV-UHFFFAOYSA-N
XLogP2.84
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methoxymethyl)-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide
CID 66157733
N-(2-amino-4,6-dibromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66158095
3-(4-bromophenyl)-3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 119188760
2-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]phenyl]acetic acid
CID 66155943
N-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17252843
methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
CID 13371025
N-(3-bromo-2,2-dimethylpropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 115364910
3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-2-carboxylic acid
CID 66156920
5-(methoxymethyl)-N-[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 119046422
2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylic acid
CID 66156725
N-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 17253347
N-[2-(ethylaminomethyl)phenyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156185

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (CID 66158532) is N-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)Nc2ccc(Br)cc2)no1.
What is the InChIKey of N-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is UETVMVLIAWJONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3/c1-17-7-10-6-11(15-18-10)12(16)14-9-4-2-8(13)3-5-9/h2-6H,7H2,1H3,(H,14,16).
What are the key properties of N-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
N-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 311.14 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66158532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).