1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea

C18H23N5O2 — CID 97244970

About 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea

1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea (PubChem CID 97244970) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
• PubChem CID: 97244970
• Molecular Formula: C18H23N5O2
• Molecular Weight: 341.42 g/mol
• Exact Mass: 341.19
• IUPAC Name: 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
• SMILES: CC[C@H](NC(=O)NCc1cn2c(C)cccc2n1)c1c(C)noc1C
• InChI: InChI=1S/C18H23N5O2/c1-5-15(17-12(3)22-25-13(17)4)21-18(24)19-9-14-10-23-11(2)7-6-8-16(23)20-14/h6-8,10,15H,5,9H2,1-4H3,(H2,19,21,24)/t15-/m0/s1
• InChIKey: MZLVEDVXBHWSSF-HNNXBMFYSA-N
• XLogP: 3.20
• TPSA: 84.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.42
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?

The IUPAC name of 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea (CID 97244970) is 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea.

What is the SMILES notation for 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?

The canonical SMILES for 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea is CC[C@H](NC(=O)NCc1cn2c(C)cccc2n1)c1c(C)noc1C.

What is the InChIKey of 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?

The InChIKey is MZLVEDVXBHWSSF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-5-15(17-12(3)22-25-13(17)4)21-18(24)19-9-14-10-23-11(2)7-6-8-16(23)20-14/h6-8,10,15H,5,9H2,1-4H3,(H2,19,21,24)/t15-/m0/s1.

What are the key properties of 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?

1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea has a molecular weight of 341.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea is sourced from PubChem (CID 97244970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).