N,N-dimethyl-2-[4-(methylamino)phenyl]-[1,3]oxazolo[5,4-b]pyridin-5-amine

C15H16N4O — CID 44554802

IUPACN,N-dimethyl-2-[4-(methylamino)phenyl]-[1,3]oxazolo[5,4-b]pyridin-5-amine
SMILESCNc1ccc(-c2nc3ccc(N(C)C)nc3o2)cc1
InChIInChI=1S/C15H16N4O/c1-16-11-6-4-10(5-7-11)14-17-12-8-9-13(19(2)3)18-15(12)20-14/h4-9,16H,1-3H3
InChIKeyMFMBYGUSWUCNSK-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.00
Rot. Bonds3

About N,N-dimethyl-2-[4-(methylamino)phenyl]-[1,3]oxazolo[5,4-b]pyridin-5-amine

N,N-dimethyl-2-[4-(methylamino)phenyl]-[1,3]oxazolo[5,4-b]pyridin-5-amine (PubChem CID 44554802) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(methylamino)phenyl]-[1,3]oxazolo[5,4-b]pyridin-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(methylamino)phenyl]-[1,3]oxazolo[5,4-b]pyridin-5-amine
PubChem CID44554802
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN,N-dimethyl-2-[4-(methylamino)phenyl]-[1,3]oxazolo[5,4-b]pyridin-5-amine
SMILESCNc1ccc(-c2nc3ccc(N(C)C)nc3o2)cc1
InChIInChI=1S/C15H16N4O/c1-16-11-6-4-10(5-7-11)14-17-12-8-9-13(19(2)3)18-15(12)20-14/h4-9,16H,1-3H3
InChIKeyMFMBYGUSWUCNSK-UHFFFAOYSA-N
XLogP3.00
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N,N-dimethylpyridin-2-amine
CID 44555284
4-[5-[benzyl(methyl)amino]-[1,3]oxazolo[5,4-b]pyridin-2-yl]benzonitrile
CID 71264746
N-benzyl-2-(4-chlorophenyl)-N-methyl-[1,3]oxazolo[5,4-b]pyridin-5-amine;5-chloro-2-(4-chlorophenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 157162551
2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine
CID 91682504
N-methyl-4-(6-tributylstannyl-1,3-benzoxazol-2-yl)aniline
CID 20625606
5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridine
CID 82337949
N-methyl-4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]aniline
CID 25211761
4-[6-(3-fluoropropoxy)-1,3-benzoxazol-2-yl]-N-methylaniline
CID 144970941
N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 82468711
N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698800
2-(1,3-benzodioxol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine
CID 44555119
N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]propanamide
CID 1361244

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(methylamino)phenyl]-[1,3]oxazolo[5,4-b]pyridin-5-amine?
The IUPAC name of N,N-dimethyl-2-[4-(methylamino)phenyl]-[1,3]oxazolo[5,4-b]pyridin-5-amine (CID 44554802) is N,N-dimethyl-2-[4-(methylamino)phenyl]-[1,3]oxazolo[5,4-b]pyridin-5-amine.
What is the SMILES notation for N,N-dimethyl-2-[4-(methylamino)phenyl]-[1,3]oxazolo[5,4-b]pyridin-5-amine?
The canonical SMILES for N,N-dimethyl-2-[4-(methylamino)phenyl]-[1,3]oxazolo[5,4-b]pyridin-5-amine is CNc1ccc(-c2nc3ccc(N(C)C)nc3o2)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-(methylamino)phenyl]-[1,3]oxazolo[5,4-b]pyridin-5-amine?
The InChIKey is MFMBYGUSWUCNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-16-11-6-4-10(5-7-11)14-17-12-8-9-13(19(2)3)18-15(12)20-14/h4-9,16H,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-(methylamino)phenyl]-[1,3]oxazolo[5,4-b]pyridin-5-amine?
N,N-dimethyl-2-[4-(methylamino)phenyl]-[1,3]oxazolo[5,4-b]pyridin-5-amine has a molecular weight of 268.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(methylamino)phenyl]-[1,3]oxazolo[5,4-b]pyridin-5-amine is sourced from PubChem (CID 44554802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).