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

C16H17N3O — CID 102673074

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-quinolin-4-ylmethanamine
SMILESCc1nc(CNCc2ccnc3ccccc23)oc1C
InChIInChI=1S/C16H17N3O/c1-11-12(2)20-16(19-11)10-17-9-13-7-8-18-15-6-4-3-5-14(13)15/h3-8,17H,9-10H2,1-2H3
InChIKeyWNGFCAOUFXBDKP-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.13
Rot. Bonds4

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-quinolin-4-ylmethanamine (PubChem CID 102673074) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-quinolin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-quinolin-4-ylmethanamine
PubChem CID102673074
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-quinolin-4-ylmethanamine
SMILESCc1nc(CNCc2ccnc3ccccc23)oc1C
InChIInChI=1S/C16H17N3O/c1-11-12(2)20-16(19-11)10-17-9-13-7-8-18-15-6-4-3-5-14(13)15/h3-8,17H,9-10H2,1-2H3
InChIKeyWNGFCAOUFXBDKP-UHFFFAOYSA-N
XLogP3.13
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-quinolin-4-ylmethanamine
CID 63850720
2-methoxy-N-(quinolin-4-ylmethyl)ethanamine
CID 62543983
1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine
CID 63850040
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-pyrazolo[1,5-a]pyridin-3-ylmethanamine
CID 102673132
2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 106372819
1-[4-(chloromethyl)phenyl]-N-(quinolin-4-ylmethyl)methanamine
CID 107232919
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 60972826
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 62308041
1-(1,3-benzodioxol-4-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 61211714
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221
N-methoxy-1-quinolin-4-ylmethanamine
CID 79235633

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-quinolin-4-ylmethanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-quinolin-4-ylmethanamine (CID 102673074) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-quinolin-4-ylmethanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-quinolin-4-ylmethanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-quinolin-4-ylmethanamine is Cc1nc(CNCc2ccnc3ccccc23)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-quinolin-4-ylmethanamine?
The InChIKey is WNGFCAOUFXBDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-12(2)20-16(19-11)10-17-9-13-7-8-18-15-6-4-3-5-14(13)15/h3-8,17H,9-10H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-quinolin-4-ylmethanamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-quinolin-4-ylmethanamine has a molecular weight of 267.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-quinolin-4-ylmethanamine is sourced from PubChem (CID 102673074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).