5-(cyclopropylmethyl)-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C16H18N2O — CID 56743156

IUPAC5-(cyclopropylmethyl)-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESc1ccc(-c2noc3c2CN(CC2CC2)CC3)cc1
InChIInChI=1S/C16H18N2O/c1-2-4-13(5-3-1)16-14-11-18(10-12-6-7-12)9-8-15(14)19-17-16/h1-5,12H,6-11H2
InChIKeyNNVFLYVOVIWKNG-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.11
Rot. Bonds3

About 5-(cyclopropylmethyl)-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

5-(cyclopropylmethyl)-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 56743156) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID56743156
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name5-(cyclopropylmethyl)-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESc1ccc(-c2noc3c2CN(CC2CC2)CC3)cc1
InChIInChI=1S/C16H18N2O/c1-2-4-13(5-3-1)16-14-11-18(10-12-6-7-12)9-8-15(14)19-17-16/h1-5,12H,6-11H2
InChIKeyNNVFLYVOVIWKNG-UHFFFAOYSA-N
XLogP3.11
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-(cyclopropylmethyl)-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 56743156) is 5-(cyclopropylmethyl)-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(cyclopropylmethyl)-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-(cyclopropylmethyl)-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is c1ccc(-c2noc3c2CN(CC2CC2)CC3)cc1.
What is the InChIKey of 5-(cyclopropylmethyl)-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is NNVFLYVOVIWKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-4-13(5-3-1)16-14-11-18(10-12-6-7-12)9-8-15(14)19-17-16/h1-5,12H,6-11H2.
What are the key properties of 5-(cyclopropylmethyl)-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-(cyclopropylmethyl)-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 254.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 56743156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).