1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea

C16H23N5O2 — CID 84589715

IUPAC1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
SMILESCC(C)c1cc(CNC(=O)NCc2cccc(N(C)C)n2)on1
InChIInChI=1S/C16H23N5O2/c1-11(2)14-8-13(23-20-14)10-18-16(22)17-9-12-6-5-7-15(19-12)21(3)4/h5-8,11H,9-10H2,1-4H3,(H2,17,18,22)
InChIKeyGPCLYENECBXEBY-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.26
Rot. Bonds6

About 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea (PubChem CID 84589715) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
PubChem CID84589715
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
SMILESCC(C)c1cc(CNC(=O)NCc2cccc(N(C)C)n2)on1
InChIInChI=1S/C16H23N5O2/c1-11(2)14-8-13(23-20-14)10-18-16(22)17-9-12-6-5-7-15(19-12)21(3)4/h5-8,11H,9-10H2,1-4H3,(H2,17,18,22)
InChIKeyGPCLYENECBXEBY-UHFFFAOYSA-N
XLogP2.26
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea with MolForge

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Related Compounds

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-hydroxypropan-2-yl)urea
CID 109399230
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 97242762
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 75388984
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
CID 111618886
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 109398549
4-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoylamino]butanoic acid
CID 122007866
1-(2-hydroxy-4-methylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
CID 111335800
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 75388974
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-thiophen-3-ylurea
CID 84593325
1-(2-hydroxy-2,3-dimethylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
CID 111335806
cis-(1S,3R)-3-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066365
methyl 6-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoylamino]hexanoate
CID 75514046

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea?
The IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea (CID 84589715) is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea?
The canonical SMILES for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea is CC(C)c1cc(CNC(=O)NCc2cccc(N(C)C)n2)on1.
What is the InChIKey of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea?
The InChIKey is GPCLYENECBXEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11(2)14-8-13(23-20-14)10-18-16(22)17-9-12-6-5-7-15(19-12)21(3)4/h5-8,11H,9-10H2,1-4H3,(H2,17,18,22).
What are the key properties of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea?
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea has a molecular weight of 317.39 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea is sourced from PubChem (CID 84589715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).