1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(2-methylphenyl)ethyl]urea

C15H19N3O2 — CID 94205163

IUPAC1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1[C@H](C)NC(=O)Nc1nc(C)c(C)o1
InChIInChI=1S/C15H19N3O2/c1-9-7-5-6-8-13(9)11(3)16-14(19)18-15-17-10(2)12(4)20-15/h5-8,11H,1-4H3,(H2,16,17,18,19)/t11-/m0/s1
InChIKeyJQOHLUUZJOWDPQ-NSHDSACASA-N
MW273.34 g/mol
LogP3.48
Rot. Bonds3

About 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(2-methylphenyl)ethyl]urea

1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(2-methylphenyl)ethyl]urea (PubChem CID 94205163) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(2-methylphenyl)ethyl]urea
PubChem CID94205163
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1[C@H](C)NC(=O)Nc1nc(C)c(C)o1
InChIInChI=1S/C15H19N3O2/c1-9-7-5-6-8-13(9)11(3)16-14(19)18-15-17-10(2)12(4)20-15/h5-8,11H,1-4H3,(H2,16,17,18,19)/t11-/m0/s1
InChIKeyJQOHLUUZJOWDPQ-NSHDSACASA-N
XLogP3.48
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(2-methylphenyl)ethyl]urea (CID 94205163) is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(2-methylphenyl)ethyl]urea is Cc1ccccc1[C@H](C)NC(=O)Nc1nc(C)c(C)o1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(2-methylphenyl)ethyl]urea?
The InChIKey is JQOHLUUZJOWDPQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9-7-5-6-8-13(9)11(3)16-14(19)18-15-17-10(2)12(4)20-15/h5-8,11H,1-4H3,(H2,16,17,18,19)/t11-/m0/s1.
What are the key properties of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(2-methylphenyl)ethyl]urea?
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(2-methylphenyl)ethyl]urea has a molecular weight of 273.34 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 94205163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).