3-[(2R)-3-[ethyl(methyl)amino]-2-methylpropyl]-1-methyl-1-(1,2-oxazol-3-ylmethyl)urea

C13H24N4O2 — CID 125440521

IUPAC3-[(2R)-3-[ethyl(methyl)amino]-2-methylpropyl]-1-methyl-1-(1,2-oxazol-3-ylmethyl)urea
SMILESCCN(C)C[C@H](C)CNC(=O)N(C)Cc1ccon1
InChIInChI=1S/C13H24N4O2/c1-5-16(3)9-11(2)8-14-13(18)17(4)10-12-6-7-19-15-12/h6-7,11H,5,8-10H2,1-4H3,(H,14,18)/t11-/m1/s1
InChIKeyIKGASXVJFPYTHO-LLVKDONJSA-N
MW268.36 g/mol
LogP1.40
Rot. Bonds7

About 3-[(2R)-3-[ethyl(methyl)amino]-2-methylpropyl]-1-methyl-1-(1,2-oxazol-3-ylmethyl)urea

3-[(2R)-3-[ethyl(methyl)amino]-2-methylpropyl]-1-methyl-1-(1,2-oxazol-3-ylmethyl)urea (PubChem CID 125440521) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[(2R)-3-[ethyl(methyl)amino]-2-methylpropyl]-1-methyl-1-(1,2-oxazol-3-ylmethyl)urea.

Molecular Properties

Compound Name3-[(2R)-3-[ethyl(methyl)amino]-2-methylpropyl]-1-methyl-1-(1,2-oxazol-3-ylmethyl)urea
PubChem CID125440521
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name3-[(2R)-3-[ethyl(methyl)amino]-2-methylpropyl]-1-methyl-1-(1,2-oxazol-3-ylmethyl)urea
SMILESCCN(C)C[C@H](C)CNC(=O)N(C)Cc1ccon1
InChIInChI=1S/C13H24N4O2/c1-5-16(3)9-11(2)8-14-13(18)17(4)10-12-6-7-19-15-12/h6-7,11H,5,8-10H2,1-4H3,(H,14,18)/t11-/m1/s1
InChIKeyIKGASXVJFPYTHO-LLVKDONJSA-N
XLogP1.40
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-1-methylurea
CID 125443170
N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 58166119
2-amino-N,3-dimethyl-N-(1,2-oxazol-3-ylmethyl)butanamide;hydrochloride
CID 119330899
1-methyl-3-[(2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(1,2-oxazol-3-ylmethyl)urea
CID 125438725
N-(4-butan-2-ylphenyl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide
CID 135099106
N-methyl-2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylacetamide
CID 81176958
1-methyl-3-(2-methylbutyl)-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
CID 119060814
1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
CID 126427845
N'-methyl-N'-(1,2-oxazol-3-ylmethyl)ethane-1,2-diamine
CID 115869778
4-methyl-5-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoic acid
CID 82688959
2-[butan-2-yl(1,2-oxazol-3-ylmethylcarbamoyl)amino]acetic acid
CID 81178150
3-methyl-2-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223176

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-3-[ethyl(methyl)amino]-2-methylpropyl]-1-methyl-1-(1,2-oxazol-3-ylmethyl)urea?
The IUPAC name of 3-[(2R)-3-[ethyl(methyl)amino]-2-methylpropyl]-1-methyl-1-(1,2-oxazol-3-ylmethyl)urea (CID 125440521) is 3-[(2R)-3-[ethyl(methyl)amino]-2-methylpropyl]-1-methyl-1-(1,2-oxazol-3-ylmethyl)urea.
What is the SMILES notation for 3-[(2R)-3-[ethyl(methyl)amino]-2-methylpropyl]-1-methyl-1-(1,2-oxazol-3-ylmethyl)urea?
The canonical SMILES for 3-[(2R)-3-[ethyl(methyl)amino]-2-methylpropyl]-1-methyl-1-(1,2-oxazol-3-ylmethyl)urea is CCN(C)C[C@H](C)CNC(=O)N(C)Cc1ccon1.
What is the InChIKey of 3-[(2R)-3-[ethyl(methyl)amino]-2-methylpropyl]-1-methyl-1-(1,2-oxazol-3-ylmethyl)urea?
The InChIKey is IKGASXVJFPYTHO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-16(3)9-11(2)8-14-13(18)17(4)10-12-6-7-19-15-12/h6-7,11H,5,8-10H2,1-4H3,(H,14,18)/t11-/m1/s1.
What are the key properties of 3-[(2R)-3-[ethyl(methyl)amino]-2-methylpropyl]-1-methyl-1-(1,2-oxazol-3-ylmethyl)urea?
3-[(2R)-3-[ethyl(methyl)amino]-2-methylpropyl]-1-methyl-1-(1,2-oxazol-3-ylmethyl)urea has a molecular weight of 268.36 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-3-[ethyl(methyl)amino]-2-methylpropyl]-1-methyl-1-(1,2-oxazol-3-ylmethyl)urea is sourced from PubChem (CID 125440521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).