1-[(5S)-3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine

C10H12BrN3O — CID 91136720

IUPAC1-[(5S)-3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine
SMILESCNC[C@@H]1C=C(c2ccc(Br)cn2)NO1
InChIInChI=1S/C10H12BrN3O/c1-12-6-8-4-10(14-15-8)9-3-2-7(11)5-13-9/h2-5,8,12,14H,6H2,1H3/t8-/m0/s1
InChIKeyRRBNIQYDURILLX-QMMMGPOBSA-N
MW270.13 g/mol
LogP1.31
Rot. Bonds3

About 1-[(5S)-3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine

1-[(5S)-3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine (PubChem CID 91136720) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 1-[(5S)-3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(5S)-3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine
PubChem CID91136720
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name1-[(5S)-3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine
SMILESCNC[C@@H]1C=C(c2ccc(Br)cn2)NO1
InChIInChI=1S/C10H12BrN3O/c1-12-6-8-4-10(14-15-8)9-3-2-7(11)5-13-9/h2-5,8,12,14H,6H2,1H3/t8-/m0/s1
InChIKeyRRBNIQYDURILLX-QMMMGPOBSA-N
XLogP1.31
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(5S)-3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine with MolForge

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Related Compounds

2-[[(5S)-3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]ethanol
CID 91342225
[3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl ditert-butyl phosphate
CID 91156065
[(5S)-3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl butanoate
CID 90830792
1-[3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]cyclopentan-1-ol
CID 90889085
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
[(5S)-3-pyridin-2-yl-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-bromobenzoate
CID 2318397
(1S)-1-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 130641134
2-(5-bromo-2-pyridinyl)-5-(1-chloroethyl)-1,3,4-oxadiazole
CID 62958955
5-bromo-2-(5-bromo-2-pyridinyl)pyridine;dichloropalladium
CID 175701869
N-[2-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62960149
1-[(2R,3S,4R)-3-(5-bromo-2-pyridinyl)-4-ethyl-1-prop-2-enylazetidin-2-yl]-N-methylmethanamine
CID 122599037
2-(5-bromo-2-pyridinyl)-N-methyl-1-(oxan-3-yl)ethanamine
CID 104802480

Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[(5S)-3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine (CID 91136720) is 1-[(5S)-3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(5S)-3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(5S)-3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine is CNC[C@@H]1C=C(c2ccc(Br)cn2)NO1.
What is the InChIKey of 1-[(5S)-3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine?
The InChIKey is RRBNIQYDURILLX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-12-6-8-4-10(14-15-8)9-3-2-7(11)5-13-9/h2-5,8,12,14H,6H2,1H3/t8-/m0/s1.
What are the key properties of 1-[(5S)-3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine?
1-[(5S)-3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine has a molecular weight of 270.13 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 91136720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).