1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazinane-2,4-dione

C13H11ClN4O3 — CID 71875543

IUPAC1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(Cc2nc(-c3cccc(Cl)c3)no2)C(=O)N1
InChIInChI=1S/C13H11ClN4O3/c14-9-3-1-2-8(6-9)12-16-11(21-17-12)7-18-5-4-10(19)15-13(18)20/h1-3,6H,4-5,7H2,(H,15,19,20)
InChIKeyUCCOQNAEAQYNLV-UHFFFAOYSA-N
MW306.71 g/mol
LogP1.83
Rot. Bonds3

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

1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazinane-2,4-dione (PubChem CID 71875543) has the molecular formula C13H11ClN4O3 and a molecular weight of 306.71 g/mol. Its IUPAC name is 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazinane-2,4-dione
PubChem CID71875543
Molecular FormulaC13H11ClN4O3
Molecular Weight306.71 g/mol
Exact Mass306.05
IUPAC Name1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(Cc2nc(-c3cccc(Cl)c3)no2)C(=O)N1
InChIInChI=1S/C13H11ClN4O3/c14-9-3-1-2-8(6-9)12-16-11(21-17-12)7-18-5-4-10(19)15-13(18)20/h1-3,6H,4-5,7H2,(H,15,19,20)
InChIKeyUCCOQNAEAQYNLV-UHFFFAOYSA-N
XLogP1.83
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923283
5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 9028953
3-(3-chlorophenyl)-5-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 17490289
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopropylpiperidine-4-carboxamide
CID 38155425
5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 26322362
5-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 124751901
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346434
5-(azetidin-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 64612280
N-[[(2R)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide
CID 33416941
3-(3-chlorophenyl)-5-[[4-(2-methylphenyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 42530638
3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxophthalazine-1-carboxylic acid
CID 16610988
3-(3-chlorophenyl)-5-[[(3R)-3-phenylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 29084359

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazinane-2,4-dione (CID 71875543) is 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazinane-2,4-dione is O=C1CCN(Cc2nc(-c3cccc(Cl)c3)no2)C(=O)N1.
What is the InChIKey of 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazinane-2,4-dione?
The InChIKey is UCCOQNAEAQYNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O3/c14-9-3-1-2-8(6-9)12-16-11(21-17-12)7-18-5-4-10(19)15-13(18)20/h1-3,6H,4-5,7H2,(H,15,19,20).
What are the key properties of 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazinane-2,4-dione?
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazinane-2,4-dione has a molecular weight of 306.71 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 71875543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).