7-methyl-2-[5-(2-propan-2-yloxyethylamino)-2-pyridinyl]-1,3-benzoxazole-5-carbonitrile

C19H20N4O2 — CID 67140783

IUPAC7-methyl-2-[5-(2-propan-2-yloxyethylamino)-2-pyridinyl]-1,3-benzoxazole-5-carbonitrile
SMILESCc1cc(C#N)cc2nc(-c3ccc(NCCOC(C)C)cn3)oc12
InChIInChI=1S/C19H20N4O2/c1-12(2)24-7-6-21-15-4-5-16(22-11-15)19-23-17-9-14(10-20)8-13(3)18(17)25-19/h4-5,8-9,11-12,21H,6-7H2,1-3H3
InChIKeyAZOAPEJECCQVGU-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.91
Rot. Bonds6

About 7-methyl-2-[5-(2-propan-2-yloxyethylamino)-2-pyridinyl]-1,3-benzoxazole-5-carbonitrile

7-methyl-2-[5-(2-propan-2-yloxyethylamino)-2-pyridinyl]-1,3-benzoxazole-5-carbonitrile (PubChem CID 67140783) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 7-methyl-2-[5-(2-propan-2-yloxyethylamino)-2-pyridinyl]-1,3-benzoxazole-5-carbonitrile.

Molecular Properties

Compound Name7-methyl-2-[5-(2-propan-2-yloxyethylamino)-2-pyridinyl]-1,3-benzoxazole-5-carbonitrile
PubChem CID67140783
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name7-methyl-2-[5-(2-propan-2-yloxyethylamino)-2-pyridinyl]-1,3-benzoxazole-5-carbonitrile
SMILESCc1cc(C#N)cc2nc(-c3ccc(NCCOC(C)C)cn3)oc12
InChIInChI=1S/C19H20N4O2/c1-12(2)24-7-6-21-15-4-5-16(22-11-15)19-23-17-9-14(10-20)8-13(3)18(17)25-19/h4-5,8-9,11-12,21H,6-7H2,1-3H3
InChIKeyAZOAPEJECCQVGU-UHFFFAOYSA-N
XLogP3.91
TPSA83.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-((7-Methyl-Benzoxazol-2-ylmethyl)amino)-5-ethyl-6-methlpyridin-2(1H)-one
CID 453443
N-{3-[2-(4-Phenyl-butyl)-benzooxazol-7-yl]-propyl}-propionamide
CID 10361427
2-[2-(2-Pyridinyl)-1,3-benzoxazol-5-yl]acetic acid
CID 1478216
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]pyridine-3-carboxamide
CID 6472613
N-{3-[2-(4-Phenyl-butyl)-benzooxazol-7-yl]-propyl}-acetamide
CID 10089253
N-{3-[2-(4-Phenyl-butyl)-benzooxazol-7-yl]-propyl}-butyramide
CID 10091075
Tert-butyl 4-(2-(4-(5-cyano-7-methylbenzo[d]oxazol-2-yl)phenylamino)-2-oxoethoxy)piperidine-1-carboxylate
CID 24738038
Ethyl 4-(2-(4-(5-cyano-7-methylbenzo[d]oxazol-2-yl)phenylamino)-2-oxoethoxy)piperidine-1-carboxylate
CID 24738200
N-(4-(5-cyano-7-methylbenzo[d]oxazol-2-yl)phenyl)-2-(1-(3,3-dimethylbutyl)piperidin-4-yloxy)acetamide
CID 24738522
Tert-pentyl 4-(2-(4-(5-cyano-7-methylbenzo[d]oxazol-2-yl)phenylamino)-2-oxoethoxy)piperidine-1-carboxylate
CID 24738524
N-(4-(5-cyanobenzo[d]oxazol-2-yl)phenyl)-2-(o-tolyloxy)acetamide
CID 44449892
2-(4-(2-(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yloxy)ethylamino)phenyl)benzo[d]oxazole-5-carbonitrile
CID 46216790

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[5-(2-propan-2-yloxyethylamino)-2-pyridinyl]-1,3-benzoxazole-5-carbonitrile?
The IUPAC name of 7-methyl-2-[5-(2-propan-2-yloxyethylamino)-2-pyridinyl]-1,3-benzoxazole-5-carbonitrile (CID 67140783) is 7-methyl-2-[5-(2-propan-2-yloxyethylamino)-2-pyridinyl]-1,3-benzoxazole-5-carbonitrile.
What is the SMILES notation for 7-methyl-2-[5-(2-propan-2-yloxyethylamino)-2-pyridinyl]-1,3-benzoxazole-5-carbonitrile?
The canonical SMILES for 7-methyl-2-[5-(2-propan-2-yloxyethylamino)-2-pyridinyl]-1,3-benzoxazole-5-carbonitrile is Cc1cc(C#N)cc2nc(-c3ccc(NCCOC(C)C)cn3)oc12.
What is the InChIKey of 7-methyl-2-[5-(2-propan-2-yloxyethylamino)-2-pyridinyl]-1,3-benzoxazole-5-carbonitrile?
The InChIKey is AZOAPEJECCQVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12(2)24-7-6-21-15-4-5-16(22-11-15)19-23-17-9-14(10-20)8-13(3)18(17)25-19/h4-5,8-9,11-12,21H,6-7H2,1-3H3.
What are the key properties of 7-methyl-2-[5-(2-propan-2-yloxyethylamino)-2-pyridinyl]-1,3-benzoxazole-5-carbonitrile?
7-methyl-2-[5-(2-propan-2-yloxyethylamino)-2-pyridinyl]-1,3-benzoxazole-5-carbonitrile has a molecular weight of 336.40 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[5-(2-propan-2-yloxyethylamino)-2-pyridinyl]-1,3-benzoxazole-5-carbonitrile is sourced from PubChem (CID 67140783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).