1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-cyclopentylurea

C17H20ClN3O2 — CID 46344154

IUPAC1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-cyclopentylurea
SMILESCc1oc(-c2cccc(Cl)c2)nc1CNC(=O)NC1CCCC1
InChIInChI=1S/C17H20ClN3O2/c1-11-15(10-19-17(22)20-14-7-2-3-8-14)21-16(23-11)12-5-4-6-13(18)9-12/h4-6,9,14H,2-3,7-8,10H2,1H3,(H2,19,20,22)
InChIKeyOCOVIWUTTUCNFI-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.05
Rot. Bonds4

About 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-cyclopentylurea

1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-cyclopentylurea (PubChem CID 46344154) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-cyclopentylurea
PubChem CID46344154
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-cyclopentylurea
SMILESCc1oc(-c2cccc(Cl)c2)nc1CNC(=O)NC1CCCC1
InChIInChI=1S/C17H20ClN3O2/c1-11-15(10-19-17(22)20-14-7-2-3-8-14)21-16(23-11)12-5-4-6-13(18)9-12/h4-6,9,14H,2-3,7-8,10H2,1H3,(H2,19,20,22)
InChIKeyOCOVIWUTTUCNFI-UHFFFAOYSA-N
XLogP4.05
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-cyclopentylurea?
The IUPAC name of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-cyclopentylurea (CID 46344154) is 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-cyclopentylurea.
What is the SMILES notation for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-cyclopentylurea?
The canonical SMILES for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-cyclopentylurea is Cc1oc(-c2cccc(Cl)c2)nc1CNC(=O)NC1CCCC1.
What is the InChIKey of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-cyclopentylurea?
The InChIKey is OCOVIWUTTUCNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11-15(10-19-17(22)20-14-7-2-3-8-14)21-16(23-11)12-5-4-6-13(18)9-12/h4-6,9,14H,2-3,7-8,10H2,1H3,(H2,19,20,22).
What are the key properties of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-cyclopentylurea?
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-cyclopentylurea has a molecular weight of 333.82 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-cyclopentylurea is sourced from PubChem (CID 46344154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).