1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-[1-(hydroxymethyl)cyclopentyl]urea

C18H24N4O3 — CID 111926780

IUPAC1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
SMILESCCc1noc(-c2ccc(C)c(NC(=O)NC3(CO)CCCC3)c2)n1
InChIInChI=1S/C18H24N4O3/c1-3-15-20-16(25-22-15)13-7-6-12(2)14(10-13)19-17(24)21-18(11-23)8-4-5-9-18/h6-7,10,23H,3-5,8-9,11H2,1-2H3,(H2,19,21,24)
InChIKeyGWPJCICVCUMNPN-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.03
Rot. Bonds5

About 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-[1-(hydroxymethyl)cyclopentyl]urea

1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-[1-(hydroxymethyl)cyclopentyl]urea (PubChem CID 111926780) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-[1-(hydroxymethyl)cyclopentyl]urea.

Molecular Properties

Compound Name1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
PubChem CID111926780
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
SMILESCCc1noc(-c2ccc(C)c(NC(=O)NC3(CO)CCCC3)c2)n1
InChIInChI=1S/C18H24N4O3/c1-3-15-20-16(25-22-15)13-7-6-12(2)14(10-13)19-17(24)21-18(11-23)8-4-5-9-18/h6-7,10,23H,3-5,8-9,11H2,1-2H3,(H2,19,21,24)
InChIKeyGWPJCICVCUMNPN-UHFFFAOYSA-N
XLogP3.03
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-[1-(hydroxymethyl)cyclopentyl]urea?
The IUPAC name of 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-[1-(hydroxymethyl)cyclopentyl]urea (CID 111926780) is 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-[1-(hydroxymethyl)cyclopentyl]urea.
What is the SMILES notation for 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-[1-(hydroxymethyl)cyclopentyl]urea?
The canonical SMILES for 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-[1-(hydroxymethyl)cyclopentyl]urea is CCc1noc(-c2ccc(C)c(NC(=O)NC3(CO)CCCC3)c2)n1.
What is the InChIKey of 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-[1-(hydroxymethyl)cyclopentyl]urea?
The InChIKey is GWPJCICVCUMNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-3-15-20-16(25-22-15)13-7-6-12(2)14(10-13)19-17(24)21-18(11-23)8-4-5-9-18/h6-7,10,23H,3-5,8-9,11H2,1-2H3,(H2,19,21,24).
What are the key properties of 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-[1-(hydroxymethyl)cyclopentyl]urea?
1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-[1-(hydroxymethyl)cyclopentyl]urea has a molecular weight of 344.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-[1-(hydroxymethyl)cyclopentyl]urea is sourced from PubChem (CID 111926780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).