7-(3-aminophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine

C22H21N5O2 — CID 24801647

IUPAC7-(3-aminophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine
SMILESNc1cccc(-c2cccc3nc(Nc4ccc(N5CCOCC5)nc4)oc23)c1
InChIInChI=1S/C22H21N5O2/c23-16-4-1-3-15(13-16)18-5-2-6-19-21(18)29-22(26-19)25-17-7-8-20(24-14-17)27-9-11-28-12-10-27/h1-8,13-14H,9-12,23H2,(H,25,26)
InChIKeyPWYCTUYWQSVOTG-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.05
Rot. Bonds4

About 7-(3-aminophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine

7-(3-aminophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine (PubChem CID 24801647) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 7-(3-aminophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name7-(3-aminophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine
PubChem CID24801647
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name7-(3-aminophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine
SMILESNc1cccc(-c2cccc3nc(Nc4ccc(N5CCOCC5)nc4)oc23)c1
InChIInChI=1S/C22H21N5O2/c23-16-4-1-3-15(13-16)18-5-2-6-19-21(18)29-22(26-19)25-17-7-8-20(24-14-17)27-9-11-28-12-10-27/h1-8,13-14H,9-12,23H2,(H,25,26)
InChIKeyPWYCTUYWQSVOTG-UHFFFAOYSA-N
XLogP4.05
TPSA89.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 7-(3-aminophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine
CID 24801484
3-[7-(3-aminophenyl)-1,3-benzoxazol-2-yl]-4-morpholin-4-ylaniline
CID 67459807
3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride
CID 119839707
N-[3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]quinazolin-8-yl]phenyl]prop-2-enamide
CID 118162922
7-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-N-(3-methyl-4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine
CID 59144244
8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
CID 118163034
N,N-dimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide
CID 46880739
3-[1-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)pyrazol-3-yl]aniline
CID 91122899
2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine
CID 117079432
[4-[2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-1,3-benzoxazol-7-yl]-2-methylphenyl]-morpholin-4-ylmethanone
CID 59144269
8-(2,6-difluorophenyl)-2-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-diamine
CID 118162915
5-[[7-[3-fluoro-4-(3-morpholin-4-yloxiran-2-yl)phenyl]-1,3-benzoxazol-2-yl]amino]-2-(4-methylpiperazin-1-yl)benzonitrile
CID 143641461

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine?
The IUPAC name of 7-(3-aminophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine (CID 24801647) is 7-(3-aminophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 7-(3-aminophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 7-(3-aminophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine is Nc1cccc(-c2cccc3nc(Nc4ccc(N5CCOCC5)nc4)oc23)c1.
What is the InChIKey of 7-(3-aminophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine?
The InChIKey is PWYCTUYWQSVOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c23-16-4-1-3-15(13-16)18-5-2-6-19-21(18)29-22(26-19)25-17-7-8-20(24-14-17)27-9-11-28-12-10-27/h1-8,13-14H,9-12,23H2,(H,25,26).
What are the key properties of 7-(3-aminophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine?
7-(3-aminophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine has a molecular weight of 387.44 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 24801647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).