N-[[2-(2-pyridin-3-ylethyl)-1,3-oxazol-4-yl]methylidene]hydroxylamine;hydrochloride

C11H12ClN3O2 — CID 168824427

IUPACN-[[2-(2-pyridin-3-ylethyl)-1,3-oxazol-4-yl]methylidene]hydroxylamine;hydrochloride
SMILESCl.ON=Cc1coc(CCc2cccnc2)n1
InChIInChI=1S/C11H11N3O2.ClH/c15-13-7-10-8-16-11(14-10)4-3-9-2-1-5-12-6-9;/h1-2,5-8,15H,3-4H2;1H
InChIKeyYJNRCDYLVOVSMC-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.08
Rot. Bonds4

About N-[[2-(2-pyridin-3-ylethyl)-1,3-oxazol-4-yl]methylidene]hydroxylamine;hydrochloride

N-[[2-(2-pyridin-3-ylethyl)-1,3-oxazol-4-yl]methylidene]hydroxylamine;hydrochloride (PubChem CID 168824427) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is N-[[2-(2-pyridin-3-ylethyl)-1,3-oxazol-4-yl]methylidene]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-[[2-(2-pyridin-3-ylethyl)-1,3-oxazol-4-yl]methylidene]hydroxylamine;hydrochloride
PubChem CID168824427
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC NameN-[[2-(2-pyridin-3-ylethyl)-1,3-oxazol-4-yl]methylidene]hydroxylamine;hydrochloride
SMILESCl.ON=Cc1coc(CCc2cccnc2)n1
InChIInChI=1S/C11H11N3O2.ClH/c15-13-7-10-8-16-11(14-10)4-3-9-2-1-5-12-6-9;/h1-2,5-8,15H,3-4H2;1H
InChIKeyYJNRCDYLVOVSMC-UHFFFAOYSA-N
XLogP2.08
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[[2-(4-pyridin-3-ylbut-1-ynyl)-1,3-oxazol-4-yl]methylidene]hydroxylamine
CID 168824419
(NE)-N-[[5-(2-pyridin-3-ylethyl)pyrazin-2-yl]methylidene]hydroxylamine
CID 162753346
(NZ)-N-[[2-(4-pyridin-3-ylbut-1-ynyl)-1,3-thiazol-4-yl]methylidene]hydroxylamine;hydrochloride
CID 175867150
(NE)-N-[[4-(2-pyridin-3-ylethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine
CID 168824413
(NZ)-N-[[2-(4-pyridin-3-ylbutyl)-1,3-thiazol-5-yl]methylidene]hydroxylamine;hydrochloride
CID 175911624
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
3-[2-(5-methylfuran-3-yl)ethyl]pyridine
CID 170375827
[4-(2-pyridin-3-ylethyl)phenyl]methanol
CID 57319891
argon;2-pyridin-3-ylethanol
CID 159015973
3-pyridin-3-ylprop-1-en-1-ol;hydrochloride
CID 67682923
N-(14-pyridin-3-yltetradec-11-enylidene)hydroxylamine
CID 85169050
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-pyridin-3-ylethyl)-1,3-oxazol-4-yl]methylidene]hydroxylamine;hydrochloride?
The IUPAC name of N-[[2-(2-pyridin-3-ylethyl)-1,3-oxazol-4-yl]methylidene]hydroxylamine;hydrochloride (CID 168824427) is N-[[2-(2-pyridin-3-ylethyl)-1,3-oxazol-4-yl]methylidene]hydroxylamine;hydrochloride.
What is the SMILES notation for N-[[2-(2-pyridin-3-ylethyl)-1,3-oxazol-4-yl]methylidene]hydroxylamine;hydrochloride?
The canonical SMILES for N-[[2-(2-pyridin-3-ylethyl)-1,3-oxazol-4-yl]methylidene]hydroxylamine;hydrochloride is Cl.ON=Cc1coc(CCc2cccnc2)n1.
What is the InChIKey of N-[[2-(2-pyridin-3-ylethyl)-1,3-oxazol-4-yl]methylidene]hydroxylamine;hydrochloride?
The InChIKey is YJNRCDYLVOVSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2.ClH/c15-13-7-10-8-16-11(14-10)4-3-9-2-1-5-12-6-9;/h1-2,5-8,15H,3-4H2;1H.
What are the key properties of N-[[2-(2-pyridin-3-ylethyl)-1,3-oxazol-4-yl]methylidene]hydroxylamine;hydrochloride?
N-[[2-(2-pyridin-3-ylethyl)-1,3-oxazol-4-yl]methylidene]hydroxylamine;hydrochloride has a molecular weight of 253.69 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-pyridin-3-ylethyl)-1,3-oxazol-4-yl]methylidene]hydroxylamine;hydrochloride is sourced from PubChem (CID 168824427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).