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

C15H17ClN4O3 — CID 84595697

IUPAC1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCc1nc(CNC(=O)NC2CCOC2c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H17ClN4O3/c1-9-18-13(20-23-9)8-17-15(21)19-12-6-7-22-14(12)10-2-4-11(16)5-3-10/h2-5,12,14H,6-8H2,1H3,(H2,17,19,21)
InChIKeyXIFIBECQCJJPIT-UHFFFAOYSA-N
MW336.78 g/mol
LogP2.36
Rot. Bonds4

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

1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 84595697) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
PubChem CID84595697
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC Name1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCc1nc(CNC(=O)NC2CCOC2c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H17ClN4O3/c1-9-18-13(20-23-9)8-17-15(21)19-12-6-7-22-14(12)10-2-4-11(16)5-3-10/h2-5,12,14H,6-8H2,1H3,(H2,17,19,21)
InChIKeyXIFIBECQCJJPIT-UHFFFAOYSA-N
XLogP2.36
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea with MolForge

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Related Compounds

1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 97128270
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 75399797
1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97128571
1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-2-[(R)-methylsulfinyl]propyl]urea
CID 98875908
1-[2-(hydroxymethyl)cyclohexyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 111631177
N-[2-(4-chlorophenyl)oxolan-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 84598691
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(1R,2S)-2-methylsulfanylcyclohexyl]urea
CID 97219115
2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]carbamoylamino]-N-prop-2-enylacetamide
CID 124615405
1-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 97074230
N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide
CID 97333744
1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 97122784
1-(3-aminophenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 106401387

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 84595697) is 1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is Cc1nc(CNC(=O)NC2CCOC2c2ccc(Cl)cc2)no1.
What is the InChIKey of 1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The InChIKey is XIFIBECQCJJPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3/c1-9-18-13(20-23-9)8-17-15(21)19-12-6-7-22-14(12)10-2-4-11(16)5-3-10/h2-5,12,14H,6-8H2,1H3,(H2,17,19,21).
What are the key properties of 1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 336.78 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 84595697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).