(2-amino-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)-(5-bromo-2-methylphenyl)methanone

C14H14BrN3O2 — CID 115273348

IUPAC(2-amino-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)-(5-bromo-2-methylphenyl)methanone
SMILESCc1ccc(Br)cc1C(=O)N1CCc2nc(N)oc2C1
InChIInChI=1S/C14H14BrN3O2/c1-8-2-3-9(15)6-10(8)13(19)18-5-4-11-12(7-18)20-14(16)17-11/h2-3,6H,4-5,7H2,1H3,(H2,16,17)
InChIKeyAFZQCLXXKGPUOZ-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.53
Rot. Bonds1

About (2-amino-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)-(5-bromo-2-methylphenyl)methanone

(2-amino-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)-(5-bromo-2-methylphenyl)methanone (PubChem CID 115273348) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is (2-amino-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)-(5-bromo-2-methylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)-(5-bromo-2-methylphenyl)methanone
PubChem CID115273348
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name(2-amino-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)-(5-bromo-2-methylphenyl)methanone
SMILESCc1ccc(Br)cc1C(=O)N1CCc2nc(N)oc2C1
InChIInChI=1S/C14H14BrN3O2/c1-8-2-3-9(15)6-10(8)13(19)18-5-4-11-12(7-18)20-14(16)17-11/h2-3,6H,4-5,7H2,1H3,(H2,16,17)
InChIKeyAFZQCLXXKGPUOZ-UHFFFAOYSA-N
XLogP2.53
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 115871730
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(5-bromo-2-methylphenyl)-[3-(bromomethyl)pyrrolidin-1-yl]methanone
CID 80668298
1-[4-(5-bromo-2-methylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 65309805
2-[4-(5-bromo-2-methylbenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77064947
1-(5-bromo-2-methylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide
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2-[4-(5-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66420781

Frequently Asked Questions

What is the IUPAC name of (2-amino-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)-(5-bromo-2-methylphenyl)methanone?
The IUPAC name of (2-amino-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)-(5-bromo-2-methylphenyl)methanone (CID 115273348) is (2-amino-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)-(5-bromo-2-methylphenyl)methanone.
What is the SMILES notation for (2-amino-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)-(5-bromo-2-methylphenyl)methanone?
The canonical SMILES for (2-amino-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)-(5-bromo-2-methylphenyl)methanone is Cc1ccc(Br)cc1C(=O)N1CCc2nc(N)oc2C1.
What is the InChIKey of (2-amino-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)-(5-bromo-2-methylphenyl)methanone?
The InChIKey is AFZQCLXXKGPUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-8-2-3-9(15)6-10(8)13(19)18-5-4-11-12(7-18)20-14(16)17-11/h2-3,6H,4-5,7H2,1H3,(H2,16,17).
What are the key properties of (2-amino-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)-(5-bromo-2-methylphenyl)methanone?
(2-amino-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)-(5-bromo-2-methylphenyl)methanone has a molecular weight of 336.19 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)-(5-bromo-2-methylphenyl)methanone is sourced from PubChem (CID 115273348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).