2-(3-isocyanophenyl)-5-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine

C19H16N4O — CID 58076714

IUPAC2-(3-isocyanophenyl)-5-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine
SMILES[C-]#[N+]c1cccc(-c2nc3c(o2)CN(c2cc(C)ccn2)CC3)c1
InChIInChI=1S/C19H16N4O/c1-13-6-8-21-18(10-13)23-9-7-16-17(12-23)24-19(22-16)14-4-3-5-15(11-14)20-2/h3-6,8,10-11H,7,9,12H2,1H3
InChIKeyJGOWWSMJNWCEIH-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.16
Rot. Bonds2

About 2-(3-isocyanophenyl)-5-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine

2-(3-isocyanophenyl)-5-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine (PubChem CID 58076714) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(3-isocyanophenyl)-5-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(3-isocyanophenyl)-5-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine
PubChem CID58076714
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2-(3-isocyanophenyl)-5-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine
SMILES[C-]#[N+]c1cccc(-c2nc3c(o2)CN(c2cc(C)ccn2)CC3)c1
InChIInChI=1S/C19H16N4O/c1-13-6-8-21-18(10-13)23-9-7-16-17(12-23)24-19(22-16)14-4-3-5-15(11-14)20-2/h3-6,8,10-11H,7,9,12H2,1H3
InChIKeyJGOWWSMJNWCEIH-UHFFFAOYSA-N
XLogP4.16
TPSA46.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-isocyanophenyl)-5-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine with MolForge

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Related Compounds

2-[2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]pyridine-3-carbonitrile
CID 46932575
2-(3-isocyanophenyl)-5-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 58077088
2-(2-chlorophenyl)-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine
CID 46932663
2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid
CID 91350154
2-[2-(3-chlorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]pyridine-3-carbonitrile
CID 46932863
2-(3-chlorophenyl)-5-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]pyridine-3-carbonitrile;bis(2-(4-fluorophenyl)-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);2-[2-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]pyridine-3-carbonitrile;2-[2-(4-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]pyridine-3-carbonitrile;2-(4-methylphenyl)-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pyridine-3-carbonitrile;2-phenyl-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 159657369
[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine
CID 115066018
5-(3-isocyanophenyl)-14-(3-methylphenyl)spiro[tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene-2,9'-xanthene]
CID 160966397
ethane;ethanol;1-isocyano-3-(3-methylphenyl)benzene
CID 90862604
2-[4-(difluoromethyl)piperidin-1-yl]-4-methylpyridine
CID 171993927
5-(3-chlorophenyl)-2-(4-methylpyrazin-4-ium-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 91233354
3-(4-methyl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 164926889

Frequently Asked Questions

What is the IUPAC name of 2-(3-isocyanophenyl)-5-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine?
The IUPAC name of 2-(3-isocyanophenyl)-5-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine (CID 58076714) is 2-(3-isocyanophenyl)-5-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(3-isocyanophenyl)-5-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine?
The canonical SMILES for 2-(3-isocyanophenyl)-5-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine is [C-]#[N+]c1cccc(-c2nc3c(o2)CN(c2cc(C)ccn2)CC3)c1.
What is the InChIKey of 2-(3-isocyanophenyl)-5-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine?
The InChIKey is JGOWWSMJNWCEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-13-6-8-21-18(10-13)23-9-7-16-17(12-23)24-19(22-16)14-4-3-5-15(11-14)20-2/h3-6,8,10-11H,7,9,12H2,1H3.
What are the key properties of 2-(3-isocyanophenyl)-5-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine?
2-(3-isocyanophenyl)-5-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine has a molecular weight of 316.36 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-isocyanophenyl)-5-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 58076714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).