N,N-dimethyl-5-(7-methyl-1,3-benzoxazol-2-yl)pyridin-2-amine

C15H15N3O — CID 59679624

IUPACN,N-dimethyl-5-(7-methyl-1,3-benzoxazol-2-yl)pyridin-2-amine
SMILESCc1cccc2nc(-c3ccc(N(C)C)nc3)oc12
InChIInChI=1S/C15H15N3O/c1-10-5-4-6-12-14(10)19-15(17-12)11-7-8-13(16-9-11)18(2)3/h4-9H,1-3H3
InChIKeySBCGOCKVADTUBS-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.26
Rot. Bonds2

About N,N-dimethyl-5-(7-methyl-1,3-benzoxazol-2-yl)pyridin-2-amine

N,N-dimethyl-5-(7-methyl-1,3-benzoxazol-2-yl)pyridin-2-amine (PubChem CID 59679624) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N,N-dimethyl-5-(7-methyl-1,3-benzoxazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-(7-methyl-1,3-benzoxazol-2-yl)pyridin-2-amine
PubChem CID59679624
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN,N-dimethyl-5-(7-methyl-1,3-benzoxazol-2-yl)pyridin-2-amine
SMILESCc1cccc2nc(-c3ccc(N(C)C)nc3)oc12
InChIInChI=1S/C15H15N3O/c1-10-5-4-6-12-14(10)19-15(17-12)11-7-8-13(16-9-11)18(2)3/h4-9H,1-3H3
InChIKeySBCGOCKVADTUBS-UHFFFAOYSA-N
XLogP3.26
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-(7-methyl-1,3-benzoxazol-2-yl)pyridin-2-amine
CID 142272205
7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole
CID 15259011
ethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole
CID 145409461
5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N,N-dimethylpyridin-2-amine
CID 44555284
4-[2-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 59228382
5-(7-methyl-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol
CID 171512133
N,N-dimethyl-5-(4-methylnaphthalen-1-yl)pyridin-2-amine
CID 143285700
2-(4-methylphenyl)-[1,3]oxazolo[4,5-c]quinoline
CID 4541188
2-(2-benzofuran-1-yl)-7-methyl-1,3-benzoxazole
CID 57321541
2-(2-methylphenyl)-1,3-benzoxazol-7-ol
CID 84689691
5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine
CID 71453771
(2S)-1-[[2-[6-(dimethylamino)-3-pyridinyl]-1,3-benzoxazol-5-yl]oxy]-3-fluoropropan-2-ol
CID 122413455

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(7-methyl-1,3-benzoxazol-2-yl)pyridin-2-amine?
The IUPAC name of N,N-dimethyl-5-(7-methyl-1,3-benzoxazol-2-yl)pyridin-2-amine (CID 59679624) is N,N-dimethyl-5-(7-methyl-1,3-benzoxazol-2-yl)pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-(7-methyl-1,3-benzoxazol-2-yl)pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-5-(7-methyl-1,3-benzoxazol-2-yl)pyridin-2-amine is Cc1cccc2nc(-c3ccc(N(C)C)nc3)oc12.
What is the InChIKey of N,N-dimethyl-5-(7-methyl-1,3-benzoxazol-2-yl)pyridin-2-amine?
The InChIKey is SBCGOCKVADTUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-5-4-6-12-14(10)19-15(17-12)11-7-8-13(16-9-11)18(2)3/h4-9H,1-3H3.
What are the key properties of N,N-dimethyl-5-(7-methyl-1,3-benzoxazol-2-yl)pyridin-2-amine?
N,N-dimethyl-5-(7-methyl-1,3-benzoxazol-2-yl)pyridin-2-amine has a molecular weight of 253.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(7-methyl-1,3-benzoxazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 59679624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).