1-benzyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-(2-hydroxyethyl)urea

C18H25N3O3 — CID 111439082

IUPAC1-benzyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-(2-hydroxyethyl)urea
SMILESCc1noc(C)c1CC(C)NC(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H25N3O3/c1-13(11-17-14(2)20-24-15(17)3)19-18(23)21(9-10-22)12-16-7-5-4-6-8-16/h4-8,13,22H,9-12H2,1-3H3,(H,19,23)
InChIKeyVEQJSFCWRSRYLT-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.43
Rot. Bonds7

About 1-benzyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-(2-hydroxyethyl)urea

1-benzyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-(2-hydroxyethyl)urea (PubChem CID 111439082) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-benzyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-(2-hydroxyethyl)urea
PubChem CID111439082
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-benzyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-(2-hydroxyethyl)urea
SMILESCc1noc(C)c1CC(C)NC(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H25N3O3/c1-13(11-17-14(2)20-24-15(17)3)19-18(23)21(9-10-22)12-16-7-5-4-6-8-16/h4-8,13,22H,9-12H2,1-3H3,(H,19,23)
InChIKeyVEQJSFCWRSRYLT-UHFFFAOYSA-N
XLogP2.43
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-1-(2-hydroxyethyl)-3-[1-(5-methylthiophen-2-yl)propan-2-yl]urea
CID 111439042
1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea
CID 108888312
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]furan-2-carboxylic acid
CID 120692172
1-benzyl-3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)urea
CID 110895092
1-benzyl-1-(2-hydroxyethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 111507733
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea
CID 111439093
1-benzyl-1-(2-hydroxyethyl)-3-(1,2-oxazol-5-yl)urea
CID 108814077
N-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 78795967
4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid
CID 122028172
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
1-benzyl-3-(1-methoxypropan-2-yl)-1-propylurea
CID 86999284
1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea
CID 110896720

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-benzyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-(2-hydroxyethyl)urea (CID 111439082) is 1-benzyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-benzyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-benzyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-(2-hydroxyethyl)urea is Cc1noc(C)c1CC(C)NC(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-(2-hydroxyethyl)urea?
The InChIKey is VEQJSFCWRSRYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13(11-17-14(2)20-24-15(17)3)19-18(23)21(9-10-22)12-16-7-5-4-6-8-16/h4-8,13,22H,9-12H2,1-3H3,(H,19,23).
What are the key properties of 1-benzyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-(2-hydroxyethyl)urea?
1-benzyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-(2-hydroxyethyl)urea has a molecular weight of 331.42 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111439082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).