5-cyclopropyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazole

C12H16N2O — CID 171999260

IUPAC5-cyclopropyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazole
SMILESC1=CCN(Cc2cc(C3CC3)on2)CC1
InChIInChI=1S/C12H16N2O/c1-2-6-14(7-3-1)9-11-8-12(15-13-11)10-4-5-10/h1-2,8,10H,3-7,9H2
InChIKeyHPTGAFQFBLMVDM-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.31
Rot. Bonds3

About 5-cyclopropyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazole

5-cyclopropyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazole (PubChem CID 171999260) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-cyclopropyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazole
PubChem CID171999260
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name5-cyclopropyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazole
SMILESC1=CCN(Cc2cc(C3CC3)on2)CC1
InChIInChI=1S/C12H16N2O/c1-2-6-14(7-3-1)9-11-8-12(15-13-11)10-4-5-10/h1-2,8,10H,3-7,9H2
InChIKeyHPTGAFQFBLMVDM-UHFFFAOYSA-N
XLogP2.31
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazole (CID 171999260) is 5-cyclopropyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazole is C1=CCN(Cc2cc(C3CC3)on2)CC1.
What is the InChIKey of 5-cyclopropyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazole?
The InChIKey is HPTGAFQFBLMVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-6-14(7-3-1)9-11-8-12(15-13-11)10-4-5-10/h1-2,8,10H,3-7,9H2.
What are the key properties of 5-cyclopropyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazole?
5-cyclopropyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazole has a molecular weight of 204.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 171999260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).