2-(3-bromophenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine

C12H11BrN2O — CID 131872662

IUPAC2-(3-bromophenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine
SMILESBrc1cccc(-c2nc3c(o2)CCNC3)c1
InChIInChI=1S/C12H11BrN2O/c13-9-3-1-2-8(6-9)12-15-10-7-14-5-4-11(10)16-12/h1-3,6,14H,4-5,7H2
InChIKeyAMQQDHOQJPKJRM-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.75
Rot. Bonds1

About 2-(3-bromophenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine

2-(3-bromophenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 131872662) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3-bromophenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine
PubChem CID131872662
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name2-(3-bromophenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine
SMILESBrc1cccc(-c2nc3c(o2)CCNC3)c1
InChIInChI=1S/C12H11BrN2O/c13-9-3-1-2-8(6-9)12-15-10-7-14-5-4-11(10)16-12/h1-3,6,14H,4-5,7H2
InChIKeyAMQQDHOQJPKJRM-UHFFFAOYSA-N
XLogP2.75
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742183
[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine
CID 115066018
5-(3-bromophenyl)-3H-1,3,4-oxadiazol-2-one
CID 24874409
2-(3-bromophenyl)-5-piperidin-3-yl-1,3,4-oxadiazole
CID 82045304
3-(3-bromophenyl)-5-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole
CID 43325515
2-[(3-bromophenyl)sulfanylmethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 66161610
dimethyl 2-(3-bromophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953612
3-(3-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 28805674
CID 163815297
CID 163815297
2-(3-bromophenyl)-5-pyrrolidin-1-yl-1,3-benzoxazole
CID 168512605
5-(3-bromophenyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 84715623
2-(3-bromophenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one
CID 4246453

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 2-(3-bromophenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine (CID 131872662) is 2-(3-bromophenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 2-(3-bromophenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 2-(3-bromophenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine is Brc1cccc(-c2nc3c(o2)CCNC3)c1.
What is the InChIKey of 2-(3-bromophenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is AMQQDHOQJPKJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c13-9-3-1-2-8(6-9)12-15-10-7-14-5-4-11(10)16-12/h1-3,6,14H,4-5,7H2.
What are the key properties of 2-(3-bromophenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine?
2-(3-bromophenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 279.14 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 131872662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).