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

C15H15N3O — CID 78954722

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine
SMILESCc1noc(C)c1CNc1ccnc2ccccc12
InChIInChI=1S/C15H15N3O/c1-10-13(11(2)19-18-10)9-17-15-7-8-16-14-6-4-3-5-12(14)15/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyRDMQFFFDGCDSEF-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.45
Rot. Bonds3

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine (PubChem CID 78954722) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine
PubChem CID78954722
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine
SMILESCc1noc(C)c1CNc1ccnc2ccccc12
InChIInChI=1S/C15H15N3O/c1-10-13(11(2)19-18-10)9-17-15-7-8-16-14-6-4-3-5-12(14)15/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyRDMQFFFDGCDSEF-UHFFFAOYSA-N
XLogP3.45
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine
CID 67723222
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine
CID 61341548
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinoxalin-2-amine
CID 47983697
N-ethylquinolin-4-amine
CID 15306588
N-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine
CID 106402958
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethoxypyridin-3-amine
CID 43706464
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-3-amine
CID 43691291
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpyridin-3-amine
CID 63329724
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 71937141
3-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylbenzene-1,3-diamine
CID 79236204
7-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]quinolin-4-amine
CID 133347532
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-quinoxalin-2-ylmethanamine
CID 78922105

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine (CID 78954722) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine is Cc1noc(C)c1CNc1ccnc2ccccc12.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine?
The InChIKey is RDMQFFFDGCDSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-13(11(2)19-18-10)9-17-15-7-8-16-14-6-4-3-5-12(14)15/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine has a molecular weight of 253.31 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine is sourced from PubChem (CID 78954722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).