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

C15H15N3O — CID 106374019

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine
SMILESCc1nc(CNc2ccnc3ccccc23)oc1C
InChIInChI=1S/C15H15N3O/c1-10-11(2)19-15(18-10)9-17-14-7-8-16-13-6-4-3-5-12(13)14/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyKVKRQWLOAJTTIF-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.45
Rot. Bonds3

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine (PubChem CID 106374019) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine
PubChem CID106374019
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine
SMILESCc1nc(CNc2ccnc3ccccc23)oc1C
InChIInChI=1S/C15H15N3O/c1-10-11(2)19-15(18-10)9-17-14-7-8-16-13-6-4-3-5-12(13)14/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyKVKRQWLOAJTTIF-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

(3Z,6Z)-3-[(5-tert-butyl-1,3-oxazol-4-yl)methylidene]-6-(quinolin-4-ylmethylidene)piperazine-2,5-dione
CID 16068449
2,4-dimethyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-5-carboxamide
CID 131911967
2-[4-[(7-Fluoroquinolin-4-yl)amino]pentyl-(1,3-oxazol-2-ylmethyl)amino]ethanol
CID 167200255
2-[(5-Fluoroindol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
CID 55256784
1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
CID 75371687
2-[(4-Fluoroindol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
CID 82793438
(1S)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
CID 97213812
(1R)-1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
CID 97213813
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine
CID 102673150
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)ethanamine
CID 104160224
8-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine
CID 106369370
7-fluoro-8-N-[(5-methyl-1,3-oxazol-2-yl)methyl]quinoline-5,8-diamine
CID 106369619

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine (CID 106374019) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine is Cc1nc(CNc2ccnc3ccccc23)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine?
The InChIKey is KVKRQWLOAJTTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-11(2)19-15(18-10)9-17-14-7-8-16-13-6-4-3-5-12(13)14/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-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-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine is sourced from PubChem (CID 106374019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).