N,N-dimethyl-5-[2-(3-morpholin-4-ylanilino)-4-pyridinyl]-1,2-benzoxazol-3-amine

C24H25N5O2 — CID 178129676

IUPACN,N-dimethyl-5-[2-(3-morpholin-4-ylanilino)-4-pyridinyl]-1,2-benzoxazol-3-amine
SMILESCN(C)c1noc2ccc(-c3ccnc(Nc4cccc(N5CCOCC5)c4)c3)cc12
InChIInChI=1S/C24H25N5O2/c1-28(2)24-21-14-17(6-7-22(21)31-27-24)18-8-9-25-23(15-18)26-19-4-3-5-20(16-19)29-10-12-30-13-11-29/h3-9,14-16H,10-13H2,1-2H3,(H,25,26)
InChIKeyGZNQGMKGUGIKEC-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.54
Rot. Bonds5

About N,N-dimethyl-5-[2-(3-morpholin-4-ylanilino)-4-pyridinyl]-1,2-benzoxazol-3-amine

N,N-dimethyl-5-[2-(3-morpholin-4-ylanilino)-4-pyridinyl]-1,2-benzoxazol-3-amine (PubChem CID 178129676) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N,N-dimethyl-5-[2-(3-morpholin-4-ylanilino)-4-pyridinyl]-1,2-benzoxazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[2-(3-morpholin-4-ylanilino)-4-pyridinyl]-1,2-benzoxazol-3-amine
PubChem CID178129676
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN,N-dimethyl-5-[2-(3-morpholin-4-ylanilino)-4-pyridinyl]-1,2-benzoxazol-3-amine
SMILESCN(C)c1noc2ccc(-c3ccnc(Nc4cccc(N5CCOCC5)c4)c3)cc12
InChIInChI=1S/C24H25N5O2/c1-28(2)24-21-14-17(6-7-22(21)31-27-24)18-8-9-25-23(15-18)26-19-4-3-5-20(16-19)29-10-12-30-13-11-29/h3-9,14-16H,10-13H2,1-2H3,(H,25,26)
InChIKeyGZNQGMKGUGIKEC-UHFFFAOYSA-N
XLogP4.54
TPSA66.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]-4-pyridinyl]-N,N,1-trimethylindazol-3-amine
CID 178129721
4-methyl-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 171509337
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
4-[4-(4-fluorophenyl)-5-phenyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 72946275
1-(cyclopropylmethyl)-N-(3-morpholin-4-ylphenyl)imidazo[4,5-c]pyridin-6-amine
CID 162649953
1-[7-[[2-(2-methyl-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone
CID 167515262
N-ethyl-3-morpholin-4-ylaniline
CID 22605665
N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]benzamide
CID 25059367
5-(4-fluorophenoxy)-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 59588900
4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 117078839
4-N-(3-chloro-2,4-difluorophenyl)-4-N-methyl-2-N-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 25015407
N-[4-methyl-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 141440785

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[2-(3-morpholin-4-ylanilino)-4-pyridinyl]-1,2-benzoxazol-3-amine?
The IUPAC name of N,N-dimethyl-5-[2-(3-morpholin-4-ylanilino)-4-pyridinyl]-1,2-benzoxazol-3-amine (CID 178129676) is N,N-dimethyl-5-[2-(3-morpholin-4-ylanilino)-4-pyridinyl]-1,2-benzoxazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-[2-(3-morpholin-4-ylanilino)-4-pyridinyl]-1,2-benzoxazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-[2-(3-morpholin-4-ylanilino)-4-pyridinyl]-1,2-benzoxazol-3-amine is CN(C)c1noc2ccc(-c3ccnc(Nc4cccc(N5CCOCC5)c4)c3)cc12.
What is the InChIKey of N,N-dimethyl-5-[2-(3-morpholin-4-ylanilino)-4-pyridinyl]-1,2-benzoxazol-3-amine?
The InChIKey is GZNQGMKGUGIKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-28(2)24-21-14-17(6-7-22(21)31-27-24)18-8-9-25-23(15-18)26-19-4-3-5-20(16-19)29-10-12-30-13-11-29/h3-9,14-16H,10-13H2,1-2H3,(H,25,26).
What are the key properties of N,N-dimethyl-5-[2-(3-morpholin-4-ylanilino)-4-pyridinyl]-1,2-benzoxazol-3-amine?
N,N-dimethyl-5-[2-(3-morpholin-4-ylanilino)-4-pyridinyl]-1,2-benzoxazol-3-amine has a molecular weight of 415.50 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[2-(3-morpholin-4-ylanilino)-4-pyridinyl]-1,2-benzoxazol-3-amine is sourced from PubChem (CID 178129676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).