1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea

C13H13N5O2 — CID 167772547

IUPAC1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea
SMILESCc1cc(NC(=O)NCc2ccn3ccnc3c2)on1
InChIInChI=1S/C13H13N5O2/c1-9-6-12(20-17-9)16-13(19)15-8-10-2-4-18-5-3-14-11(18)7-10/h2-7H,8H2,1H3,(H2,15,16,19)
InChIKeyVGPPKHGFQNHLET-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.95
Rot. Bonds3

About 1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea

1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea (PubChem CID 167772547) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea
PubChem CID167772547
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea
SMILESCc1cc(NC(=O)NCc2ccn3ccnc3c2)on1
InChIInChI=1S/C13H13N5O2/c1-9-6-12(20-17-9)16-13(19)15-8-10-2-4-18-5-3-14-11(18)7-10/h2-7H,8H2,1H3,(H2,15,16,19)
InChIKeyVGPPKHGFQNHLET-UHFFFAOYSA-N
XLogP1.95
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea?
The IUPAC name of 1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea (CID 167772547) is 1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea is Cc1cc(NC(=O)NCc2ccn3ccnc3c2)on1.
What is the InChIKey of 1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea?
The InChIKey is VGPPKHGFQNHLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-9-6-12(20-17-9)16-13(19)15-8-10-2-4-18-5-3-14-11(18)7-10/h2-7H,8H2,1H3,(H2,15,16,19).
What are the key properties of 1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea?
1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea has a molecular weight of 271.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea is sourced from PubChem (CID 167772547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).