5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide

C14H10BrN3O3 — CID 5003885

IUPAC5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)no1
InChIInChI=1S/C14H10BrN3O3/c1-8-6-13(18-20-8)16-14(19)11-7-12(21-17-11)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,16,18,19)
InChIKeyHGNMTECNSCLGAJ-UHFFFAOYSA-N
MW348.16 g/mol
LogP3.65
Rot. Bonds3

About 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide

5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 5003885) has the molecular formula C14H10BrN3O3 and a molecular weight of 348.16 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID5003885
Molecular FormulaC14H10BrN3O3
Molecular Weight348.16 g/mol
Exact Mass346.99
IUPAC Name5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)no1
InChIInChI=1S/C14H10BrN3O3/c1-8-6-13(18-20-8)16-14(19)11-7-12(21-17-11)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,16,18,19)
InChIKeyHGNMTECNSCLGAJ-UHFFFAOYSA-N
XLogP3.65
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.16
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-N-(5-methylisoxazol-3-yl)isoxazole-3-carboxamide
CID 3685910
5-(4-hydroxyphenyl)-N-(5-methylisoxazol-3-yl)isoxazole-3-carboxamide
CID 135472763
N-allyl-5-(4-bromophenyl)isoxazole-3-carboxamide
CID 3238993
5-(4-bromophenyl)-N-propyl-1,2-oxazole-3-carboxamide
CID 3241419
N-(2-bromo-4,6-difluorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093728
N-(5-methyl-3-isoxazolyl)-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093769
5-(3-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide
CID 3236895
5-(4-bromophenyl)-N,N-diethyl-3-isoxazolecarboxamide
CID 3238274
5-(4-bromophenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 3242684
5-(4-bromophenyl)-N-propan-2-yl-3-isoxazolecarboxamide
CID 3244552
5-(4-bromophenyl)-N-(1-phenylethyl)isoxazole-3-carboxamide
CID 3245735
5-(4-Bromophenyl)isoxazol-3-yl pyrrolidinyl ketone
CID 3338438

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide (CID 5003885) is 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)no1.
What is the InChIKey of 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is HGNMTECNSCLGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O3/c1-8-6-13(18-20-8)16-14(19)11-7-12(21-17-11)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,16,18,19).
What are the key properties of 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide?
5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 348.16 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5003885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).