1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]urea

C17H23N3O3 — CID 95635616

IUPAC1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]urea
SMILESCc1nc(-c2cccc(NC(=O)N[C@@H](C)[C@@H](C)CO)c2)oc1C
InChIInChI=1S/C17H23N3O3/c1-10(9-21)11(2)19-17(22)20-15-7-5-6-14(8-15)16-18-12(3)13(4)23-16/h5-8,10-11,21H,9H2,1-4H3,(H2,19,20,22)/t10-,11-/m0/s1
InChIKeyDGNUNBFSTOKFMO-QWRGUYRKSA-N
MW317.39 g/mol
LogP3.10
Rot. Bonds5

About 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]urea

1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]urea (PubChem CID 95635616) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]urea.

Molecular Properties

Compound Name1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]urea
PubChem CID95635616
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]urea
SMILESCc1nc(-c2cccc(NC(=O)N[C@@H](C)[C@@H](C)CO)c2)oc1C
InChIInChI=1S/C17H23N3O3/c1-10(9-21)11(2)19-17(22)20-15-7-5-6-14(8-15)16-18-12(3)13(4)23-16/h5-8,10-11,21H,9H2,1-4H3,(H2,19,20,22)/t10-,11-/m0/s1
InChIKeyDGNUNBFSTOKFMO-QWRGUYRKSA-N
XLogP3.10
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]urea with MolForge

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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-(2-methylpropyl)urea
CID 60577786
3-[[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122077622
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111636887
N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(methylamino)butanamide
CID 119742561
5-methyl-2-phenyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]-1,3-oxazole-4-carboxamide
CID 31888702
1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
CID 111424928
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
1-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-3-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)urea
CID 97339290
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]acetamide
CID 119742581

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]urea?
The IUPAC name of 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]urea (CID 95635616) is 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]urea.
What is the SMILES notation for 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]urea?
The canonical SMILES for 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]urea is Cc1nc(-c2cccc(NC(=O)N[C@@H](C)[C@@H](C)CO)c2)oc1C.
What is the InChIKey of 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]urea?
The InChIKey is DGNUNBFSTOKFMO-QWRGUYRKSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-10(9-21)11(2)19-17(22)20-15-7-5-6-14(8-15)16-18-12(3)13(4)23-16/h5-8,10-11,21H,9H2,1-4H3,(H2,19,20,22)/t10-,11-/m0/s1.
What are the key properties of 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]urea?
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]urea has a molecular weight of 317.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]urea is sourced from PubChem (CID 95635616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).