[3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine

C10H13N3O — CID 104823799

IUPAC[3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESCc1ccc(C2=NOC(CN)C2)cn1
InChIInChI=1S/C10H13N3O/c1-7-2-3-8(6-12-7)10-4-9(5-11)14-13-10/h2-3,6,9H,4-5,11H2,1H3
InChIKeySNQAIUGTDRCWQM-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.84
Rot. Bonds2

About [3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine

[3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine (PubChem CID 104823799) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is [3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
PubChem CID104823799
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name[3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESCc1ccc(C2=NOC(CN)C2)cn1
InChIInChI=1S/C10H13N3O/c1-7-2-3-8(6-12-7)10-4-9(5-11)14-13-10/h2-3,6,9H,4-5,11H2,1H3
InChIKeySNQAIUGTDRCWQM-UHFFFAOYSA-N
XLogP0.84
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 104823800
[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 95348459
[(5R)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 95348408
[3-(4-methoxy-3-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine;hydrochloride
CID 102555158
[3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 18698754
3-(4-bromo-3-methylphenyl)-5-(chloromethyl)-4,5-dihydro-1,2-oxazole
CID 66481694
(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
CID 6420656
[4-[3-[4-(6-methyl-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-3-methylsulfanylbut-1-en-2-yl]cyanamide
CID 134591203
[5-[(6-methyl-3-pyridinyl)oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine
CID 118679340
5-(bromomethyl)-3-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole
CID 102568558
[5-(6-methyl-3-pyridinyl)-2-pyridinyl]methanamine
CID 168994735
5-pentyl-3-[4-(5-pentyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 86091004

Frequently Asked Questions

What is the IUPAC name of [3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine (CID 104823799) is [3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine is Cc1ccc(C2=NOC(CN)C2)cn1.
What is the InChIKey of [3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The InChIKey is SNQAIUGTDRCWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7-2-3-8(6-12-7)10-4-9(5-11)14-13-10/h2-3,6,9H,4-5,11H2,1H3.
What are the key properties of [3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
[3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine has a molecular weight of 191.23 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 104823799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).