N-[(3-bromo-5-methoxyphenyl)methyl]-3-ethyl-1,2-oxazole-4-carboxamide

C14H15BrN2O3 — CID 138024347

IUPACN-[(3-bromo-5-methoxyphenyl)methyl]-3-ethyl-1,2-oxazole-4-carboxamide
SMILESCCc1nocc1C(=O)NCc1cc(Br)cc(OC)c1
InChIInChI=1S/C14H15BrN2O3/c1-3-13-12(8-20-17-13)14(18)16-7-9-4-10(15)6-11(5-9)19-2/h4-6,8H,3,7H2,1-2H3,(H,16,18)
InChIKeyQHJPCIJTDPXKSZ-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.94
Rot. Bonds5

About N-[(3-bromo-5-methoxyphenyl)methyl]-3-ethyl-1,2-oxazole-4-carboxamide

N-[(3-bromo-5-methoxyphenyl)methyl]-3-ethyl-1,2-oxazole-4-carboxamide (PubChem CID 138024347) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is N-[(3-bromo-5-methoxyphenyl)methyl]-3-ethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-bromo-5-methoxyphenyl)methyl]-3-ethyl-1,2-oxazole-4-carboxamide
PubChem CID138024347
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC NameN-[(3-bromo-5-methoxyphenyl)methyl]-3-ethyl-1,2-oxazole-4-carboxamide
SMILESCCc1nocc1C(=O)NCc1cc(Br)cc(OC)c1
InChIInChI=1S/C14H15BrN2O3/c1-3-13-12(8-20-17-13)14(18)16-7-9-4-10(15)6-11(5-9)19-2/h4-6,8H,3,7H2,1-2H3,(H,16,18)
InChIKeyQHJPCIJTDPXKSZ-UHFFFAOYSA-N
XLogP2.94
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromo-5-methoxyphenyl)methyl]-1,4-dimethylpyrazole-5-carboxamide
CID 138024349
N-[(3-bromo-5-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 138024373
2-amino-3-bromo-5-chloro-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 146371203
N-[(3-bromo-5-methoxyphenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 138024366
N-[(3-bromo-5-methoxyphenyl)methyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 138024351
5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17230351
4-bromo-N-[(4-methoxyphenyl)methyl]-2-(methylsulfanylmethyl)benzamide
CID 138574517
2-bromo-N-[(4-methoxyphenyl)methyl]-5-sulfanylbenzamide
CID 107020380
(3,5-dimethoxyphenyl)methylcarbamic acid
CID 67370524
2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide
CID 103882071
N-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide
CID 110672522
N-[(3,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 24746893

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-methoxyphenyl)methyl]-3-ethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(3-bromo-5-methoxyphenyl)methyl]-3-ethyl-1,2-oxazole-4-carboxamide (CID 138024347) is N-[(3-bromo-5-methoxyphenyl)methyl]-3-ethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3-bromo-5-methoxyphenyl)methyl]-3-ethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(3-bromo-5-methoxyphenyl)methyl]-3-ethyl-1,2-oxazole-4-carboxamide is CCc1nocc1C(=O)NCc1cc(Br)cc(OC)c1.
What is the InChIKey of N-[(3-bromo-5-methoxyphenyl)methyl]-3-ethyl-1,2-oxazole-4-carboxamide?
The InChIKey is QHJPCIJTDPXKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-3-13-12(8-20-17-13)14(18)16-7-9-4-10(15)6-11(5-9)19-2/h4-6,8H,3,7H2,1-2H3,(H,16,18).
What are the key properties of N-[(3-bromo-5-methoxyphenyl)methyl]-3-ethyl-1,2-oxazole-4-carboxamide?
N-[(3-bromo-5-methoxyphenyl)methyl]-3-ethyl-1,2-oxazole-4-carboxamide has a molecular weight of 339.19 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-methoxyphenyl)methyl]-3-ethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 138024347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).