N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide

C14H12ClN5O4 — CID 99955993

IUPACN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESO=C(C[C@@H]1NC(=O)NC1=O)NCc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C14H12ClN5O4/c15-8-4-2-1-3-7(8)12-18-11(24-20-12)6-16-10(21)5-9-13(22)19-14(23)17-9/h1-4,9H,5-6H2,(H,16,21)(H2,17,19,22,23)/t9-/m0/s1
InChIKeyVWIYUXDJJIBLBY-VIFPVBQESA-N
MW349.73 g/mol
LogP0.60
Rot. Bonds5

About N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide

N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 99955993) has the molecular formula C14H12ClN5O4 and a molecular weight of 349.73 g/mol. Its IUPAC name is N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID99955993
Molecular FormulaC14H12ClN5O4
Molecular Weight349.73 g/mol
Exact Mass349.06
IUPAC NameN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESO=C(C[C@@H]1NC(=O)NC1=O)NCc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C14H12ClN5O4/c15-8-4-2-1-3-7(8)12-18-11(24-20-12)6-16-10(21)5-9-13(22)19-14(23)17-9/h1-4,9H,5-6H2,(H,16,21)(H2,17,19,22,23)/t9-/m0/s1
InChIKeyVWIYUXDJJIBLBY-VIFPVBQESA-N
XLogP0.60
TPSA126.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.73
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide
CID 135639849
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
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CID 125434161
3-benzylsulfanyl-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 50875133
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid
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CID 110210112
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CID 122572561
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxybenzamide
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methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide (CID 99955993) is N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide is O=C(C[C@@H]1NC(=O)NC1=O)NCc1nc(-c2ccccc2Cl)no1.
What is the InChIKey of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is VWIYUXDJJIBLBY-VIFPVBQESA-N. The full InChI is InChI=1S/C14H12ClN5O4/c15-8-4-2-1-3-7(8)12-18-11(24-20-12)6-16-10(21)5-9-13(22)19-14(23)17-9/h1-4,9H,5-6H2,(H,16,21)(H2,17,19,22,23)/t9-/m0/s1.
What are the key properties of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide?
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 349.73 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 99955993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).