N-[[3-[(3S,5S)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazole-4-carboxamide

C18H18ClN5O3 — CID 139486594

IUPACN-[[3-[(3S,5S)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCc1nc([C@H]2CO[C@H](c3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C18H18ClN5O3/c1-24-10-20-7-14(24)18(25)21-8-16-22-17(23-27-16)12-6-15(26-9-12)11-2-4-13(19)5-3-11/h2-5,7,10,12,15H,6,8-9H2,1H3,(H,21,25)/t12-,15+/m1/s1
InChIKeyZCMKYTSUHVQDND-DOMZBBRYSA-N
MW387.83 g/mol
LogP2.63
Rot. Bonds5

About N-[[3-[(3S,5S)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazole-4-carboxamide

N-[[3-[(3S,5S)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazole-4-carboxamide (PubChem CID 139486594) has the molecular formula C18H18ClN5O3 and a molecular weight of 387.83 g/mol. Its IUPAC name is N-[[3-[(3S,5S)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-[(3S,5S)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazole-4-carboxamide
PubChem CID139486594
Molecular FormulaC18H18ClN5O3
Molecular Weight387.83 g/mol
Exact Mass387.11
IUPAC NameN-[[3-[(3S,5S)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCc1nc([C@H]2CO[C@H](c3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C18H18ClN5O3/c1-24-10-20-7-14(24)18(25)21-8-16-22-17(23-27-16)12-6-15(26-9-12)11-2-4-13(19)5-3-11/h2-5,7,10,12,15H,6,8-9H2,1H3,(H,21,25)/t12-,15+/m1/s1
InChIKeyZCMKYTSUHVQDND-DOMZBBRYSA-N
XLogP2.63
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.83
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[3-[(3S,5S)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(chloromethyl)-3-[(3S,5S)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazole
CID 176544804
3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
CID 139486601
2-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one
CID 139486512
1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-deuterio-7-methylpurin-6-one
CID 139486536
7-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-hydroxy-1,3-dimethyl-2H-purin-6-one
CID 139494951
5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-4-oxoimidazo[4,5-c]pyridine-7-carbonitrile
CID 139494952
1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8-(difluoromethyl)-7-methylpurin-6-one
CID 139486507
2-methyl-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide
CID 122160536
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 135117057
3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-(dimethylamino)-5-methylimidazo[5,1-f][1,2,4]triazin-4-one
CID 139486454
2-[[3-[5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione
CID 139486524
3-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]imidazole-4-carboxamide
CID 118775391

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3S,5S)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[[3-[(3S,5S)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazole-4-carboxamide (CID 139486594) is N-[[3-[(3S,5S)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[[3-[(3S,5S)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[[3-[(3S,5S)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)NCc1nc([C@H]2CO[C@H](c3ccc(Cl)cc3)C2)no1.
What is the InChIKey of N-[[3-[(3S,5S)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazole-4-carboxamide?
The InChIKey is ZCMKYTSUHVQDND-DOMZBBRYSA-N. The full InChI is InChI=1S/C18H18ClN5O3/c1-24-10-20-7-14(24)18(25)21-8-16-22-17(23-27-16)12-6-15(26-9-12)11-2-4-13(19)5-3-11/h2-5,7,10,12,15H,6,8-9H2,1H3,(H,21,25)/t12-,15+/m1/s1.
What are the key properties of N-[[3-[(3S,5S)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazole-4-carboxamide?
N-[[3-[(3S,5S)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazole-4-carboxamide has a molecular weight of 387.83 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3S,5S)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 139486594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).