1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea

C17H25N3O4 — CID 111481656

IUPAC1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea
SMILESCc1cc(C(C)(O)CNC(=O)NC(C)c2c(C)noc2C)c(C)o1
InChIInChI=1S/C17H25N3O4/c1-9-7-14(12(4)23-9)17(6,22)8-18-16(21)19-10(2)15-11(3)20-24-13(15)5/h7,10,22H,8H2,1-6H3,(H2,18,19,21)
InChIKeyKEIIKQCSMSPEHD-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.77
Rot. Bonds5

About 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea

1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea (PubChem CID 111481656) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea
PubChem CID111481656
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea
SMILESCc1cc(C(C)(O)CNC(=O)NC(C)c2c(C)noc2C)c(C)o1
InChIInChI=1S/C17H25N3O4/c1-9-7-14(12(4)23-9)17(6,22)8-18-16(21)19-10(2)15-11(3)20-24-13(15)5/h7,10,22H,8H2,1-6H3,(H2,18,19,21)
InChIKeyKEIIKQCSMSPEHD-UHFFFAOYSA-N
XLogP2.77
TPSA100.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea with MolForge

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Related Compounds

1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111481658
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109390007
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid
CID 79242440
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111121109
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 111482799
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-propan-2-ylphenyl)urea
CID 111472886
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea
CID 111478668
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111478944
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-thiophen-2-ylpropyl)urea
CID 111481743
1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 99856758

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea?
The IUPAC name of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea (CID 111481656) is 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea is Cc1cc(C(C)(O)CNC(=O)NC(C)c2c(C)noc2C)c(C)o1.
What is the InChIKey of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea?
The InChIKey is KEIIKQCSMSPEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-9-7-14(12(4)23-9)17(6,22)8-18-16(21)19-10(2)15-11(3)20-24-13(15)5/h7,10,22H,8H2,1-6H3,(H2,18,19,21).
What are the key properties of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea?
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea has a molecular weight of 335.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea is sourced from PubChem (CID 111481656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).