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

C15H15N3O — CID 43691291

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-3-amine
SMILESCc1noc(C)c1CNc1cnc2ccccc2c1
InChIInChI=1S/C15H15N3O/c1-10-14(11(2)19-18-10)9-16-13-7-12-5-3-4-6-15(12)17-8-13/h3-8,16H,9H2,1-2H3
InChIKeyJBJCHKWHHOZHLA-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.45
Rot. Bonds3

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-3-amine (PubChem CID 43691291) 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-3-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-3-amine
PubChem CID43691291
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-3-amine
SMILESCc1noc(C)c1CNc1cnc2ccccc2c1
InChIInChI=1S/C15H15N3O/c1-10-14(11(2)19-18-10)9-16-13-7-12-5-3-4-6-15(12)17-8-13/h3-8,16H,9H2,1-2H3
InChIKeyJBJCHKWHHOZHLA-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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinoxalin-2-amine
CID 47983697
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-quinoxalin-2-ylmethanamine
CID 78922105
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 28781610
N-[(4-ethylphenyl)methyl]quinolin-3-amine
CID 43691167
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine
CID 78954722
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-iodoaniline
CID 28879203
N-[(3-fluoro-4-methylphenyl)methyl]quinolin-3-amine
CID 63644523
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 60934662
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114475971
1,5-dimethyl-2-phenyl-4-[(quinolin-3-ylamino)methyl]pyrazol-3-one
CID 86791924
N-[[4-(2-chloroethoxy)-3-methyl-2-pyridinyl]methyl]quinolin-3-amine
CID 18404158
N-[(5-chlorothiophen-2-yl)methyl]quinolin-3-amine
CID 43691132

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-3-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-3-amine (CID 43691291) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-3-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-3-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-3-amine is Cc1noc(C)c1CNc1cnc2ccccc2c1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-3-amine?
The InChIKey is JBJCHKWHHOZHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-14(11(2)19-18-10)9-16-13-7-12-5-3-4-6-15(12)17-8-13/h3-8,16H,9H2,1-2H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-3-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-3-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-3-amine is sourced from PubChem (CID 43691291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).