5-bromo-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide

C20H15BrN2O3 — CID 1333568

IUPAC5-bromo-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
SMILESCc1cc(C)c2oc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)nc2c1
InChIInChI=1S/C20H15BrN2O3/c1-11-9-12(2)18-15(10-11)23-20(26-18)13-3-5-14(6-4-13)22-19(24)16-7-8-17(21)25-16/h3-10H,1-2H3,(H,22,24)
InChIKeyDDXCGJQRGAKZIP-UHFFFAOYSA-N
MW411.26 g/mol
LogP5.72
Rot. Bonds3

About 5-bromo-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide

5-bromo-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide (PubChem CID 1333568) has the molecular formula C20H15BrN2O3 and a molecular weight of 411.26 g/mol. Its IUPAC name is 5-bromo-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
PubChem CID1333568
Molecular FormulaC20H15BrN2O3
Molecular Weight411.26 g/mol
Exact Mass410.03
IUPAC Name5-bromo-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
SMILESCc1cc(C)c2oc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)nc2c1
InChIInChI=1S/C20H15BrN2O3/c1-11-9-12(2)18-15(10-11)23-20(26-18)13-3-5-14(6-4-13)22-19(24)16-7-8-17(21)25-16/h3-10H,1-2H3,(H,22,24)
InChIKeyDDXCGJQRGAKZIP-UHFFFAOYSA-N
XLogP5.72
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.26
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]furan-2-carboxamide
CID 60729952
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide
CID 1371953
5-bromo-N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 29127725
5-[(5-bromofuran-2-carbonyl)amino]-2-methylbenzoic acid
CID 63652798
4-chloro-N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
CID 2270625
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 1361277
N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 2192096
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
N-(2-amino-4,6-dimethylphenyl)-5-bromofuran-2-carboxamide
CID 91687418
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide
CID 1334018
5-bromo-N-(4-phenylphenyl)furan-2-carboxamide
CID 6624475
5-bromo-N-[4-(1-methylbenzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 51135396

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide (CID 1333568) is 5-bromo-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide is Cc1cc(C)c2oc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)nc2c1.
What is the InChIKey of 5-bromo-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is DDXCGJQRGAKZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O3/c1-11-9-12(2)18-15(10-11)23-20(26-18)13-3-5-14(6-4-13)22-19(24)16-7-8-17(21)25-16/h3-10H,1-2H3,(H,22,24).
What are the key properties of 5-bromo-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide?
5-bromo-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 411.26 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1333568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).