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

C14H21N3O2 — CID 84589548

IUPAC1-[2-(cyclopenten-1-yl)ethyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
SMILESCc1nc(CNC(=O)NCCC2=CCCC2)oc1C
InChIInChI=1S/C14H21N3O2/c1-10-11(2)19-13(17-10)9-16-14(18)15-8-7-12-5-3-4-6-12/h5H,3-4,6-9H2,1-2H3,(H2,15,16,18)
InChIKeyXSVGUOSIEKYGKU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.59
Rot. Bonds5

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

1-[2-(cyclopenten-1-yl)ethyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea (PubChem CID 84589548) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[2-(cyclopenten-1-yl)ethyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(cyclopenten-1-yl)ethyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
PubChem CID84589548
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[2-(cyclopenten-1-yl)ethyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
SMILESCc1nc(CNC(=O)NCCC2=CCCC2)oc1C
InChIInChI=1S/C14H21N3O2/c1-10-11(2)19-13(17-10)9-16-14(18)15-8-7-12-5-3-4-6-12/h5H,3-4,6-9H2,1-2H3,(H2,15,16,18)
InChIKeyXSVGUOSIEKYGKU-UHFFFAOYSA-N
XLogP2.59
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopenten-1-yl)ethyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea?
The IUPAC name of 1-[2-(cyclopenten-1-yl)ethyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea (CID 84589548) is 1-[2-(cyclopenten-1-yl)ethyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[2-(cyclopenten-1-yl)ethyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea?
The canonical SMILES for 1-[2-(cyclopenten-1-yl)ethyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea is Cc1nc(CNC(=O)NCCC2=CCCC2)oc1C.
What is the InChIKey of 1-[2-(cyclopenten-1-yl)ethyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea?
The InChIKey is XSVGUOSIEKYGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-11(2)19-13(17-10)9-16-14(18)15-8-7-12-5-3-4-6-12/h5H,3-4,6-9H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-[2-(cyclopenten-1-yl)ethyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea?
1-[2-(cyclopenten-1-yl)ethyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea has a molecular weight of 263.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopenten-1-yl)ethyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea is sourced from PubChem (CID 84589548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).