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

C14H11BrN2O3 — CID 110794899

IUPAC5-bromo-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]furan-2-carboxamide
SMILESCc1nc2cc(CNC(=O)c3ccc(Br)o3)ccc2o1
InChIInChI=1S/C14H11BrN2O3/c1-8-17-10-6-9(2-3-11(10)19-8)7-16-14(18)12-4-5-13(15)20-12/h2-6H,7H2,1H3,(H,16,18)
InChIKeyGOMZZFAQHNDECF-UHFFFAOYSA-N
MW335.16 g/mol
LogP3.42
Rot. Bonds3

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

5-bromo-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]furan-2-carboxamide (PubChem CID 110794899) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 5-bromo-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]furan-2-carboxamide
PubChem CID110794899
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name5-bromo-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]furan-2-carboxamide
SMILESCc1nc2cc(CNC(=O)c3ccc(Br)o3)ccc2o1
InChIInChI=1S/C14H11BrN2O3/c1-8-17-10-6-9(2-3-11(10)19-8)7-16-14(18)12-4-5-13(15)20-12/h2-6H,7H2,1H3,(H,16,18)
InChIKeyGOMZZFAQHNDECF-UHFFFAOYSA-N
XLogP3.42
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110773812
2-(2-chlorophenyl)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]acetamide
CID 110786404
3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110794896
1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-3-phenylurea
CID 110775538
5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
CID 30176535
methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]acetate
CID 115232907
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 110387930
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]ethanethiol
CID 115224002
5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 2539105
5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]furan-2-carboxamide
CID 47398777
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide
CID 110773848

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]furan-2-carboxamide (CID 110794899) is 5-bromo-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]furan-2-carboxamide is Cc1nc2cc(CNC(=O)c3ccc(Br)o3)ccc2o1.
What is the InChIKey of 5-bromo-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]furan-2-carboxamide?
The InChIKey is GOMZZFAQHNDECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-8-17-10-6-9(2-3-11(10)19-8)7-16-14(18)12-4-5-13(15)20-12/h2-6H,7H2,1H3,(H,16,18).
What are the key properties of 5-bromo-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]furan-2-carboxamide?
5-bromo-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]furan-2-carboxamide has a molecular weight of 335.16 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 110794899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).