1-(3-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea

C15H19N3O3 — CID 111507627

IUPAC1-(3-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
SMILESCC(O)CCNC(=O)NCc1coc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3O3/c1-11(19)7-8-16-15(20)17-9-13-10-21-14(18-13)12-5-3-2-4-6-12/h2-6,10-11,19H,7-9H2,1H3,(H2,16,17,20)
InChIKeyKZIKQCAXYRCIAZ-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.91
Rot. Bonds6

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

1-(3-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea (PubChem CID 111507627) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(3-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
PubChem CID111507627
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-(3-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
SMILESCC(O)CCNC(=O)NCc1coc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3O3/c1-11(19)7-8-16-15(20)17-9-13-10-21-14(18-13)12-5-3-2-4-6-12/h2-6,10-11,19H,7-9H2,1H3,(H2,16,17,20)
InChIKeyKZIKQCAXYRCIAZ-UHFFFAOYSA-N
XLogP1.91
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2,5-dimethylhexyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507638
1-(2-ethyl-2-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507637
2-methyl-1-(4-methylpentyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111552187
1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 100767874
3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid
CID 43468509
2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide
CID 39436445
methyl 3-[[N'-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]carbamimidoyl]amino]propanoate
CID 111551824
3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
CID 164836493
1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-pyridin-2-ylethyl)urea
CID 60620267
1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 60620242
1-butyl-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111552466
1-[(3-hydroxycyclohexyl)methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507631

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea?
The IUPAC name of 1-(3-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea (CID 111507627) is 1-(3-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(3-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea?
The canonical SMILES for 1-(3-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea is CC(O)CCNC(=O)NCc1coc(-c2ccccc2)n1.
What is the InChIKey of 1-(3-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea?
The InChIKey is KZIKQCAXYRCIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11(19)7-8-16-15(20)17-9-13-10-21-14(18-13)12-5-3-2-4-6-12/h2-6,10-11,19H,7-9H2,1H3,(H2,16,17,20).
What are the key properties of 1-(3-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea?
1-(3-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea has a molecular weight of 289.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea is sourced from PubChem (CID 111507627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).