N-[(2-chlorophenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine

C19H15ClN4O2 — CID 44526877

IUPACN-[(2-chlorophenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
SMILESCc1onc(-c2ccccc2)c1-c1nc(NCc2ccccc2Cl)no1
InChIInChI=1S/C19H15ClN4O2/c1-12-16(17(23-25-12)13-7-3-2-4-8-13)18-22-19(24-26-18)21-11-14-9-5-6-10-15(14)20/h2-10H,11H2,1H3,(H,21,24)
InChIKeyCICPHBHTEGGBQD-UHFFFAOYSA-N
MW366.81 g/mol
LogP4.97
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine

N-[(2-chlorophenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine (PubChem CID 44526877) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
PubChem CID44526877
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC NameN-[(2-chlorophenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
SMILESCc1onc(-c2ccccc2)c1-c1nc(NCc2ccccc2Cl)no1
InChIInChI=1S/C19H15ClN4O2/c1-12-16(17(23-25-12)13-7-3-2-4-8-13)18-22-19(24-26-18)21-11-14-9-5-6-10-15(14)20/h2-10H,11H2,1H3,(H,21,24)
InChIKeyCICPHBHTEGGBQD-UHFFFAOYSA-N
XLogP4.97
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,6-dichlorophenyl)-N-[imino(1-pyrrolidinyl)methyl]-5-methyl-4-isoxazolecarboxamide
CID 2804933
3-(2-chloro-6-fluorophenyl)-N-[imino(1-pyrrolidinyl)methyl]-5-methylisoxazole-4-carboxamide
CID 2804934
2-{5-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazol-3-yl}pyridine
CID 666253
5-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 878335
3-(2-chlorophenyl)-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
CID 1259131
3-(2-chlorophenyl)-5-methyl-N-(phenethylcarbamothioyl)isoxazole-4-carboxamide
CID 1315138
3-(2-chlorophenyl)-N-cyclohexyl-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-isoxazolecarboxamide
CID 2236064
3-(2-chlorophenyl)-5-methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)-1,2-oxazole-4-carboxamide
CID 5308737
5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1-phenylpropyl)-1,2,4-oxadiazol-3-amine
CID 44526872
N-[(2-methylphenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
CID 44526873
N-(3-methylcyclohexyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
CID 44526874
N-(3,3-diphenylpropyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
CID 44526875

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine (CID 44526877) is N-[(2-chlorophenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine is Cc1onc(-c2ccccc2)c1-c1nc(NCc2ccccc2Cl)no1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine?
The InChIKey is CICPHBHTEGGBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-12-16(17(23-25-12)13-7-3-2-4-8-13)18-22-19(24-26-18)21-11-14-9-5-6-10-15(14)20/h2-10H,11H2,1H3,(H,21,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine?
N-[(2-chlorophenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine has a molecular weight of 366.81 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 44526877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).