1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

C15H18ClN5O2 — CID 71860605

IUPAC1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCc1nc(CNC(=O)NC2CCN(c3cccc(Cl)c3)C2)no1
InChIInChI=1S/C15H18ClN5O2/c1-10-18-14(20-23-10)8-17-15(22)19-12-5-6-21(9-12)13-4-2-3-11(16)7-13/h2-4,7,12H,5-6,8-9H2,1H3,(H2,17,19,22)
InChIKeyXBRVOMLVJHPPPW-UHFFFAOYSA-N
MW335.80 g/mol
LogP2.11
Rot. Bonds4

About 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 71860605) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
PubChem CID71860605
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Name1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCc1nc(CNC(=O)NC2CCN(c3cccc(Cl)c3)C2)no1
InChIInChI=1S/C15H18ClN5O2/c1-10-18-14(20-23-10)8-17-15(22)19-12-5-6-21(9-12)13-4-2-3-11(16)7-13/h2-4,7,12H,5-6,8-9H2,1H3,(H2,17,19,22)
InChIKeyXBRVOMLVJHPPPW-UHFFFAOYSA-N
XLogP2.11
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 71860605) is 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is Cc1nc(CNC(=O)NC2CCN(c3cccc(Cl)c3)C2)no1.
What is the InChIKey of 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The InChIKey is XBRVOMLVJHPPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2/c1-10-18-14(20-23-10)8-17-15(22)19-12-5-6-21(9-12)13-4-2-3-11(16)7-13/h2-4,7,12H,5-6,8-9H2,1H3,(H2,17,19,22).
What are the key properties of 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 335.80 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 71860605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).