N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine

C17H20N4O — CID 133347501

IUPACN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCCCc1c(C)noc1C
InChIInChI=1S/C17H20N4O/c1-11-14(13(3)22-21-11)7-6-10-18-17-12(2)19-15-8-4-5-9-16(15)20-17/h4-5,8-9H,6-7,10H2,1-3H3,(H,18,20)
InChIKeySSIAFIICVNYOTN-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.59
Rot. Bonds5

About N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine (PubChem CID 133347501) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine
PubChem CID133347501
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCCCc1c(C)noc1C
InChIInChI=1S/C17H20N4O/c1-11-14(13(3)22-21-11)7-6-10-18-17-12(2)19-15-8-4-5-9-16(15)20-17/h4-5,8-9H,6-7,10H2,1-3H3,(H,18,20)
InChIKeySSIAFIICVNYOTN-UHFFFAOYSA-N
XLogP3.59
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorobutyl)-3-methylquinoxalin-2-amine
CID 106845037
3-methyl-N-pent-4-ynylquinoxalin-2-amine
CID 103704423
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133347668
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 133347534
3-methyl-N-(5-methylsulfanylpentyl)quinoxalin-2-amine
CID 104925450
3-methyl-N-(7-methyloctyl)quinoxalin-2-amine
CID 107816078
N-(3-cyclopropylpropyl)-3-methylquinoxalin-2-amine
CID 113238855
3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoxalin-2-amine
CID 103744317
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 133347637
(2R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-phenylpropan-1-amine
CID 129433141
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine
CID 23006357
N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
CID 18549044

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine?
The IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine (CID 133347501) is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine is Cc1nc2ccccc2nc1NCCCc1c(C)noc1C.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine?
The InChIKey is SSIAFIICVNYOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-11-14(13(3)22-21-11)7-6-10-18-17-12(2)19-15-8-4-5-9-16(15)20-17/h4-5,8-9H,6-7,10H2,1-3H3,(H,18,20).
What are the key properties of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine?
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine has a molecular weight of 296.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine is sourced from PubChem (CID 133347501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).