1-[4-(dimethylamino)phenyl]-3-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]urea

C20H18N6O2 — CID 59680253

IUPAC1-[4-(dimethylamino)phenyl]-3-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]urea
SMILESCN(C)c1ccc(NC(=O)Nc2cccc(-c3nc4ncccc4o3)n2)cc1
InChIInChI=1S/C20H18N6O2/c1-26(2)14-10-8-13(9-11-14)22-20(27)24-17-7-3-5-15(23-17)19-25-18-16(28-19)6-4-12-21-18/h3-12H,1-2H3,(H2,22,23,24,27)
InChIKeyYBSGVEFSSBJMFX-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.99
Rot. Bonds4

About 1-[4-(dimethylamino)phenyl]-3-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]urea

1-[4-(dimethylamino)phenyl]-3-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]urea (PubChem CID 59680253) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]urea
PubChem CID59680253
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name1-[4-(dimethylamino)phenyl]-3-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]urea
SMILESCN(C)c1ccc(NC(=O)Nc2cccc(-c3nc4ncccc4o3)n2)cc1
InChIInChI=1S/C20H18N6O2/c1-26(2)14-10-8-13(9-11-14)22-20(27)24-17-7-3-5-15(23-17)19-25-18-16(28-19)6-4-12-21-18/h3-12H,1-2H3,(H2,22,23,24,27)
InChIKeyYBSGVEFSSBJMFX-UHFFFAOYSA-N
XLogP3.99
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]urea?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]urea (CID 59680253) is 1-[4-(dimethylamino)phenyl]-3-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]urea.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]urea?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]urea is CN(C)c1ccc(NC(=O)Nc2cccc(-c3nc4ncccc4o3)n2)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]urea?
The InChIKey is YBSGVEFSSBJMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-26(2)14-10-8-13(9-11-14)22-20(27)24-17-7-3-5-15(23-17)19-25-18-16(28-19)6-4-12-21-18/h3-12H,1-2H3,(H2,22,23,24,27).
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]urea?
1-[4-(dimethylamino)phenyl]-3-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]urea has a molecular weight of 374.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]urea is sourced from PubChem (CID 59680253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).