1-methyl-3-(4-methyl-1,2-oxazol-3-yl)-1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea

C14H19N5O2 — CID 129328569

IUPAC1-methyl-3-(4-methyl-1,2-oxazol-3-yl)-1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea
SMILESCc1conc1NC(=O)N(C)C[C@H]1CCn2ccnc2C1
InChIInChI=1S/C14H19N5O2/c1-10-9-21-17-13(10)16-14(20)18(2)8-11-3-5-19-6-4-15-12(19)7-11/h4,6,9,11H,3,5,7-8H2,1-2H3,(H,16,17,20)/t11-/m0/s1
InChIKeyBRPUHDOTIRFMCW-NSHDSACASA-N
MW289.34 g/mol
LogP1.91
Rot. Bonds3

About 1-methyl-3-(4-methyl-1,2-oxazol-3-yl)-1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea

1-methyl-3-(4-methyl-1,2-oxazol-3-yl)-1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea (PubChem CID 129328569) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-methyl-3-(4-methyl-1,2-oxazol-3-yl)-1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea.

Molecular Properties

Compound Name1-methyl-3-(4-methyl-1,2-oxazol-3-yl)-1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea
PubChem CID129328569
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-methyl-3-(4-methyl-1,2-oxazol-3-yl)-1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea
SMILESCc1conc1NC(=O)N(C)C[C@H]1CCn2ccnc2C1
InChIInChI=1S/C14H19N5O2/c1-10-9-21-17-13(10)16-14(20)18(2)8-11-3-5-19-6-4-15-12(19)7-11/h4,6,9,11H,3,5,7-8H2,1-2H3,(H,16,17,20)/t11-/m0/s1
InChIKeyBRPUHDOTIRFMCW-NSHDSACASA-N
XLogP1.91
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methyl-1,2-oxazol-3-yl)-1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea?
The IUPAC name of 1-methyl-3-(4-methyl-1,2-oxazol-3-yl)-1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea (CID 129328569) is 1-methyl-3-(4-methyl-1,2-oxazol-3-yl)-1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea.
What is the SMILES notation for 1-methyl-3-(4-methyl-1,2-oxazol-3-yl)-1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea?
The canonical SMILES for 1-methyl-3-(4-methyl-1,2-oxazol-3-yl)-1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea is Cc1conc1NC(=O)N(C)C[C@H]1CCn2ccnc2C1.
What is the InChIKey of 1-methyl-3-(4-methyl-1,2-oxazol-3-yl)-1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea?
The InChIKey is BRPUHDOTIRFMCW-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-9-21-17-13(10)16-14(20)18(2)8-11-3-5-19-6-4-15-12(19)7-11/h4,6,9,11H,3,5,7-8H2,1-2H3,(H,16,17,20)/t11-/m0/s1.
What are the key properties of 1-methyl-3-(4-methyl-1,2-oxazol-3-yl)-1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea?
1-methyl-3-(4-methyl-1,2-oxazol-3-yl)-1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea has a molecular weight of 289.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methyl-1,2-oxazol-3-yl)-1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea is sourced from PubChem (CID 129328569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).