5-bromo-3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide

C14H11BrN2O3 — CID 87000879

IUPAC5-bromo-3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide
SMILESCc1nc2ccc(NC(=O)c3oc(Br)cc3C)cc2o1
InChIInChI=1S/C14H11BrN2O3/c1-7-5-12(15)20-13(7)14(18)17-9-3-4-10-11(6-9)19-8(2)16-10/h3-6H,1-2H3,(H,17,18)
InChIKeyMHNDCLXGICVJLU-UHFFFAOYSA-N
MW335.16 g/mol
LogP4.05
Rot. Bonds2

About 5-bromo-3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide

5-bromo-3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide (PubChem CID 87000879) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide
PubChem CID87000879
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name5-bromo-3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide
SMILESCc1nc2ccc(NC(=O)c3oc(Br)cc3C)cc2o1
InChIInChI=1S/C14H11BrN2O3/c1-7-5-12(15)20-13(7)14(18)17-9-3-4-10-11(6-9)19-8(2)16-10/h3-6H,1-2H3,(H,17,18)
InChIKeyMHNDCLXGICVJLU-UHFFFAOYSA-N
XLogP4.05
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
5-bromo-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 60509237
2,2-dimethyl-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115163948
3-amino-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazine-2-carboxamide
CID 86921862
5-bromo-N-[4-(2-hydroxyethyl)phenyl]-3-methylfuran-2-carboxamide
CID 110922851
(2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
CID 119842889
2-hydroxy-N-(2-methyl-1,3-benzoxazol-6-yl)-2-phenylacetamide
CID 111536513
N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765302
2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115179128
3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 86924240
5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)-1H-pyrazole-3-carboxamide
CID 86930357
5-bromo-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 55775292

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide (CID 87000879) is 5-bromo-3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide is Cc1nc2ccc(NC(=O)c3oc(Br)cc3C)cc2o1.
What is the InChIKey of 5-bromo-3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide?
The InChIKey is MHNDCLXGICVJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-7-5-12(15)20-13(7)14(18)17-9-3-4-10-11(6-9)19-8(2)16-10/h3-6H,1-2H3,(H,17,18).
What are the key properties of 5-bromo-3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide?
5-bromo-3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide has a molecular weight of 335.16 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide is sourced from PubChem (CID 87000879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).