6-amino-4-(3-bromophenyl)-3-(methoxymethyl)-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile

C15H13BrN4O2 — CID 5080306

IUPAC6-amino-4-(3-bromophenyl)-3-(methoxymethyl)-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOCc1noc2c1C(c1cccc(Br)c1)C(C#N)=C(N)N2
InChIInChI=1S/C15H13BrN4O2/c1-21-7-11-13-12(8-3-2-4-9(16)5-8)10(6-17)14(18)19-15(13)22-20-11/h2-5,12,19H,7,18H2,1H3
InChIKeyNERBYBQRIPUOHI-UHFFFAOYSA-N
MW361.20 g/mol
LogP2.83
Rot. Bonds3

About 6-amino-4-(3-bromophenyl)-3-(methoxymethyl)-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile

6-amino-4-(3-bromophenyl)-3-(methoxymethyl)-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 5080306) has the molecular formula C15H13BrN4O2 and a molecular weight of 361.20 g/mol. Its IUPAC name is 6-amino-4-(3-bromophenyl)-3-(methoxymethyl)-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(3-bromophenyl)-3-(methoxymethyl)-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID5080306
Molecular FormulaC15H13BrN4O2
Molecular Weight361.20 g/mol
Exact Mass360.02
IUPAC Name6-amino-4-(3-bromophenyl)-3-(methoxymethyl)-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOCc1noc2c1C(c1cccc(Br)c1)C(C#N)=C(N)N2
InChIInChI=1S/C15H13BrN4O2/c1-21-7-11-13-12(8-3-2-4-9(16)5-8)10(6-17)14(18)19-15(13)22-20-11/h2-5,12,19H,7,18H2,1H3
InChIKeyNERBYBQRIPUOHI-UHFFFAOYSA-N
XLogP2.83
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-amino-4-(3-bromophenyl)-3-(methoxymethyl)-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(3-bromophenyl)-3-(methoxymethyl)-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-amino-4-(3-bromophenyl)-3-(methoxymethyl)-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile (CID 5080306) is 6-amino-4-(3-bromophenyl)-3-(methoxymethyl)-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(3-bromophenyl)-3-(methoxymethyl)-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-amino-4-(3-bromophenyl)-3-(methoxymethyl)-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile is COCc1noc2c1C(c1cccc(Br)c1)C(C#N)=C(N)N2.
What is the InChIKey of 6-amino-4-(3-bromophenyl)-3-(methoxymethyl)-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is NERBYBQRIPUOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2/c1-21-7-11-13-12(8-3-2-4-9(16)5-8)10(6-17)14(18)19-15(13)22-20-11/h2-5,12,19H,7,18H2,1H3.
What are the key properties of 6-amino-4-(3-bromophenyl)-3-(methoxymethyl)-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile?
6-amino-4-(3-bromophenyl)-3-(methoxymethyl)-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 361.20 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(3-bromophenyl)-3-(methoxymethyl)-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 5080306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).