1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylpropyl)urea

C16H21N3O2 — CID 60577786

IUPAC1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylpropyl)urea
SMILESCc1nc(-c2cccc(NC(=O)NCC(C)C)c2)oc1C
InChIInChI=1S/C16H21N3O2/c1-10(2)9-17-16(20)19-14-7-5-6-13(8-14)15-18-11(3)12(4)21-15/h5-8,10H,9H2,1-4H3,(H2,17,19,20)
InChIKeyQUNWXBBURFYVHR-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.74
Rot. Bonds4

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

1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylpropyl)urea (PubChem CID 60577786) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylpropyl)urea
PubChem CID60577786
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylpropyl)urea
SMILESCc1nc(-c2cccc(NC(=O)NCC(C)C)c2)oc1C
InChIInChI=1S/C16H21N3O2/c1-10(2)9-17-16(20)19-14-7-5-6-13(8-14)15-18-11(3)12(4)21-15/h5-8,10H,9H2,1-4H3,(H2,17,19,20)
InChIKeyQUNWXBBURFYVHR-UHFFFAOYSA-N
XLogP3.74
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.74
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-propan-2-ylurea
CID 47386584
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]urea
CID 95635616
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
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111636887
1-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 119299864
2-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-methylpentanamide;hydrochloride
CID 119742600
4,5-dibromo-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]thiophene-2-carboxamide
CID 55856132
N-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]adamantane-1-carboxamide
CID 55864813
2,5-dimethyl-N-[3-[5-methyl-4-[[[(2R)-2-methylbutanoyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide
CID 42324291
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]acetamide
CID 119742581
N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 75405070

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylpropyl)urea (CID 60577786) is 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylpropyl)urea is Cc1nc(-c2cccc(NC(=O)NCC(C)C)c2)oc1C.
What is the InChIKey of 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylpropyl)urea?
The InChIKey is QUNWXBBURFYVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(2)9-17-16(20)19-14-7-5-6-13(8-14)15-18-11(3)12(4)21-15/h5-8,10H,9H2,1-4H3,(H2,17,19,20).
What are the key properties of 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylpropyl)urea?
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylpropyl)urea has a molecular weight of 287.36 g/mol, XLogP of 3.74, 4 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-(2-methylpropyl)urea is sourced from PubChem (CID 60577786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).