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

C16H15BrN2O3 — CID 60509237

IUPAC5-bromo-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)Nc1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C16H15BrN2O3/c1-8(2)16-19-11-7-10(4-5-12(11)21-16)18-15(20)14-9(3)6-13(17)22-14/h4-8H,1-3H3,(H,18,20)
InChIKeyTVUZHUKZJHEUCN-UHFFFAOYSA-N
MW363.21 g/mol
LogP4.87
Rot. Bonds3

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

5-bromo-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide (PubChem CID 60509237) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
PubChem CID60509237
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Name5-bromo-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)Nc1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C16H15BrN2O3/c1-8(2)16-19-11-7-10(4-5-12(11)21-16)18-15(20)14-9(3)6-13(17)22-14/h4-8H,1-3H3,(H,18,20)
InChIKeyTVUZHUKZJHEUCN-UHFFFAOYSA-N
XLogP4.87
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide
CID 87000879
2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 60843076
3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401870
3,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46424516
2-methyl-N-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
CID 46416362
2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide
CID 43711177
3-amino-4-oxo-4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 64895304
(2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide
CID 34339582
(2S,3S)-2-amino-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)pentanamide
CID 61179344
5-methyl-1-(4-methylphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)triazole-4-carboxamide
CID 55910593
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(tetrazol-1-yl)benzamide
CID 47026774
4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46460476

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide (CID 60509237) is 5-bromo-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide is Cc1cc(Br)oc1C(=O)Nc1ccc2oc(C(C)C)nc2c1.
What is the InChIKey of 5-bromo-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide?
The InChIKey is TVUZHUKZJHEUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-8(2)16-19-11-7-10(4-5-12(11)21-16)18-15(20)14-9(3)6-13(17)22-14/h4-8H,1-3H3,(H,18,20).
What are the key properties of 5-bromo-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide?
5-bromo-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide has a molecular weight of 363.21 g/mol, XLogP of 4.87, 3 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-propan-2-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 60509237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).