1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea

C13H18N4O4 — CID 111566580

IUPAC1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
SMILESCCC(NC(=O)NCC(O)c1ccco1)c1noc(C)n1
InChIInChI=1S/C13H18N4O4/c1-3-9(12-15-8(2)21-17-12)16-13(19)14-7-10(18)11-5-4-6-20-11/h4-6,9-10,18H,3,7H2,1-2H3,(H2,14,16,19)
InChIKeyVMPORYOPONIKKU-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.45
Rot. Bonds6

About 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea (PubChem CID 111566580) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
PubChem CID111566580
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
SMILESCCC(NC(=O)NCC(O)c1ccco1)c1noc(C)n1
InChIInChI=1S/C13H18N4O4/c1-3-9(12-15-8(2)21-17-12)16-13(19)14-7-10(18)11-5-4-6-20-11/h4-6,9-10,18H,3,7H2,1-2H3,(H2,14,16,19)
InChIKeyVMPORYOPONIKKU-UHFFFAOYSA-N
XLogP1.45
TPSA113.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 111104425
1-(3-ethyl-2-hydroxypentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111566590
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111174196
1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide
CID 166219715
1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111566439
1-[(2S)-2-(4-fluorophenyl)-2-hydroxypropyl]-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 97096543
1-[2-(1H-indol-2-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 71913106
1-[1-(3,5-dimethylphenyl)propan-2-yl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111508471
1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol
CID 106398102
1-(4-ethyl-1,3-thiazol-2-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111475859
N-(furan-2-ylmethyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride
CID 115671366
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111509364

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea (CID 111566580) is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea is CCC(NC(=O)NCC(O)c1ccco1)c1noc(C)n1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The InChIKey is VMPORYOPONIKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-3-9(12-15-8(2)21-17-12)16-13(19)14-7-10(18)11-5-4-6-20-11/h4-6,9-10,18H,3,7H2,1-2H3,(H2,14,16,19).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea has a molecular weight of 294.31 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea is sourced from PubChem (CID 111566580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).