1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-propan-2-ylurea

C15H19N3O2 — CID 47386584

IUPAC1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-propan-2-ylurea
SMILESCc1nc(-c2cccc(NC(=O)NC(C)C)c2)oc1C
InChIInChI=1S/C15H19N3O2/c1-9(2)16-15(19)18-13-7-5-6-12(8-13)14-17-10(3)11(4)20-14/h5-9H,1-4H3,(H2,16,18,19)
InChIKeyQFNSHYNEWPASJU-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.49
Rot. Bonds3

About 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-propan-2-ylurea

1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-propan-2-ylurea (PubChem CID 47386584) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-propan-2-ylurea
PubChem CID47386584
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-propan-2-ylurea
SMILESCc1nc(-c2cccc(NC(=O)NC(C)C)c2)oc1C
InChIInChI=1S/C15H19N3O2/c1-9(2)16-15(19)18-13-7-5-6-12(8-13)14-17-10(3)11(4)20-14/h5-9H,1-4H3,(H2,16,18,19)
InChIKeyQFNSHYNEWPASJU-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]urea
CID 95635616
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylpropyl)urea
CID 60577786
5-methyl-2-phenyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]-1,3-oxazole-4-carboxamide
CID 31888702
1-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 119299864
3-[[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122077622
N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(methylamino)butanamide
CID 119742561
4,5-dibromo-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]thiophene-2-carboxamide
CID 55856132
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111636887
2-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-methylpentanamide;hydrochloride
CID 119742600
N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 75405070
1-[[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122077628
1-propan-2-yl-3-[3-[3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]urea
CID 166213388

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-propan-2-ylurea (CID 47386584) is 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-propan-2-ylurea is Cc1nc(-c2cccc(NC(=O)NC(C)C)c2)oc1C.
What is the InChIKey of 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-propan-2-ylurea?
The InChIKey is QFNSHYNEWPASJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9(2)16-15(19)18-13-7-5-6-12(8-13)14-17-10(3)11(4)20-14/h5-9H,1-4H3,(H2,16,18,19).
What are the key properties of 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-propan-2-ylurea?
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-propan-2-ylurea has a molecular weight of 273.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 47386584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).