5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile

C17H17N5O2 — CID 118984545

IUPAC5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(-c2nc(C#N)c(N(C)CCc3noc(C)n3)o2)cc1
InChIInChI=1S/C17H17N5O2/c1-11-4-6-13(7-5-11)16-20-14(10-18)17(23-16)22(3)9-8-15-19-12(2)24-21-15/h4-7H,8-9H2,1-3H3
InChIKeyHQLQRPODXUQSAP-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.89
Rot. Bonds5

About 5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile

5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 118984545) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
PubChem CID118984545
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(-c2nc(C#N)c(N(C)CCc3noc(C)n3)o2)cc1
InChIInChI=1S/C17H17N5O2/c1-11-4-6-13(7-5-11)16-20-14(10-18)17(23-16)22(3)9-8-15-19-12(2)24-21-15/h4-7H,8-9H2,1-3H3
InChIKeyHQLQRPODXUQSAP-UHFFFAOYSA-N
XLogP2.89
TPSA91.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile with MolForge

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Related Compounds

5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
CID 118984546
5-[2-hydroxyethyl(methyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 163347594
6-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyridine-2-carbonitrile
CID 131908374
2-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)-methylamino]acetic acid
CID 155943118
[4-cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]-trimethylazanium
CID 66486239
N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-methylbenzohydrazide
CID 15892647
2-(4-chlorophenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carbonitrile
CID 118984597
2-(4-fluorophenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carbonitrile
CID 17012788
5-(dimethylamino)-2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
CID 16958067
3-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyrazine-2-carbonitrile
CID 131940037
2-(3-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile
CID 18822681
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055634

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile (CID 118984545) is 5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile is Cc1ccc(-c2nc(C#N)c(N(C)CCc3noc(C)n3)o2)cc1.
What is the InChIKey of 5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is HQLQRPODXUQSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11-4-6-13(7-5-11)16-20-14(10-18)17(23-16)22(3)9-8-15-19-12(2)24-21-15/h4-7H,8-9H2,1-3H3.
What are the key properties of 5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile?
5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 323.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 118984545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).