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

C13H15ClN4O2 — CID 110368299

IUPAC1-(3-chlorophenyl)-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESCC(C)c1nnc(CNC(=O)Nc2cccc(Cl)c2)o1
InChIInChI=1S/C13H15ClN4O2/c1-8(2)12-18-17-11(20-12)7-15-13(19)16-10-5-3-4-9(14)6-10/h3-6,8H,7H2,1-2H3,(H2,15,16,19)
InChIKeyUGDTYAHZQQLTOF-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.17
Rot. Bonds4

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

1-(3-chlorophenyl)-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea (PubChem CID 110368299) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea
PubChem CID110368299
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name1-(3-chlorophenyl)-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESCC(C)c1nnc(CNC(=O)Nc2cccc(Cl)c2)o1
InChIInChI=1S/C13H15ClN4O2/c1-8(2)12-18-17-11(20-12)7-15-13(19)16-10-5-3-4-9(14)6-10/h3-6,8H,7H2,1-2H3,(H2,15,16,19)
InChIKeyUGDTYAHZQQLTOF-UHFFFAOYSA-N
XLogP3.17
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318337
1-(3-chlorophenyl)-3-[(1-methyltetrazol-5-yl)methyl]urea
CID 110874649
1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 110874593
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
1-(3-chlorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 6462207
1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(3-chlorophenyl)urea
CID 61122602
1-(3-chlorophenyl)-3-(3-oxopentan-2-yl)urea
CID 64993875
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318453
1-(3-chlorophenyl)-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 27869113
1-(3-chlorophenyl)-3-[(1-methylpyrrol-2-yl)methyl]urea
CID 110473507
1-(3-chlorophenyl)-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea
CID 30295842

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea (CID 110368299) is 1-(3-chlorophenyl)-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea is CC(C)c1nnc(CNC(=O)Nc2cccc(Cl)c2)o1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea?
The InChIKey is UGDTYAHZQQLTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-8(2)12-18-17-11(20-12)7-15-13(19)16-10-5-3-4-9(14)6-10/h3-6,8H,7H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-(3-chlorophenyl)-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea?
1-(3-chlorophenyl)-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea has a molecular weight of 294.74 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea is sourced from PubChem (CID 110368299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).