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

C14H17N3O3 — CID 47435487

IUPAC1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
SMILESCc1nc(NC(=O)NCc2ccccc2CO)oc1C
InChIInChI=1S/C14H17N3O3/c1-9-10(2)20-14(16-9)17-13(19)15-7-11-5-3-4-6-12(11)8-18/h3-6,18H,7-8H2,1-2H3,(H2,15,16,17,19)
InChIKeyIUGPGSLBZMRBER-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.11
Rot. Bonds4

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

1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea (PubChem CID 47435487) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
PubChem CID47435487
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
SMILESCc1nc(NC(=O)NCc2ccccc2CO)oc1C
InChIInChI=1S/C14H17N3O3/c1-9-10(2)20-14(16-9)17-13(19)15-7-11-5-3-4-6-12(11)8-18/h3-6,18H,7-8H2,1-2H3,(H2,15,16,17,19)
InChIKeyIUGPGSLBZMRBER-UHFFFAOYSA-N
XLogP2.11
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea (CID 47435487) is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea is Cc1nc(NC(=O)NCc2ccccc2CO)oc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The InChIKey is IUGPGSLBZMRBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-10(2)20-14(16-9)17-13(19)15-7-11-5-3-4-6-12(11)8-18/h3-6,18H,7-8H2,1-2H3,(H2,15,16,17,19).
What are the key properties of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea has a molecular weight of 275.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 47435487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).