7-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine

C24H23N3O3 — CID 24801484

IUPAC7-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine
SMILESCOc1cccc(-c2cccc3nc(Nc4ccc(N5CCOCC5)cc4)oc23)c1
InChIInChI=1S/C24H23N3O3/c1-28-20-5-2-4-17(16-20)21-6-3-7-22-23(21)30-24(26-22)25-18-8-10-19(11-9-18)27-12-14-29-15-13-27/h2-11,16H,12-15H2,1H3,(H,25,26)
InChIKeyAPGGPVMPCVNXNX-UHFFFAOYSA-N
MW401.47 g/mol
LogP5.08
Rot. Bonds5

About 7-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine

7-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine (PubChem CID 24801484) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 7-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name7-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine
PubChem CID24801484
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name7-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine
SMILESCOc1cccc(-c2cccc3nc(Nc4ccc(N5CCOCC5)cc4)oc23)c1
InChIInChI=1S/C24H23N3O3/c1-28-20-5-2-4-17(16-20)21-6-3-7-22-23(21)30-24(26-22)25-18-8-10-19(11-9-18)27-12-14-29-15-13-27/h2-11,16H,12-15H2,1H3,(H,25,26)
InChIKeyAPGGPVMPCVNXNX-UHFFFAOYSA-N
XLogP5.08
TPSA59.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

7-(3-aminophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine
CID 24801647
[4-[2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-1,3-benzoxazol-7-yl]-2-methylphenyl]-morpholin-4-ylmethanone
CID 59144269
7-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-N-(3-methyl-4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine
CID 59144244
3-[2-(3-methoxy-4-piperazin-1-ylanilino)-1,3-benzoxazol-7-yl]benzamide
CID 171348432
2-[4-[2-(4-methylsulfonylanilino)-1,3-benzoxazol-7-yl]phenyl]-1-morpholin-4-ylethanone
CID 67458919
4-[4-[5-(3-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]phenyl]morpholine
CID 141347004
4-N-(3-methoxyphenyl)-2-N-(4-piperidin-1-ylphenyl)quinazoline-2,4-diamine
CID 54514405
[4-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylanilino]-1,3-benzoxazol-7-yl]-2-methylphenyl]-morpholin-4-ylmethanone
CID 59144237
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
7-(3-methoxyphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 171349227
2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 45136690
3-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]benzamide
CID 24801814

Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine?
The IUPAC name of 7-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine (CID 24801484) is 7-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 7-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 7-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine is COc1cccc(-c2cccc3nc(Nc4ccc(N5CCOCC5)cc4)oc23)c1.
What is the InChIKey of 7-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine?
The InChIKey is APGGPVMPCVNXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-28-20-5-2-4-17(16-20)21-6-3-7-22-23(21)30-24(26-22)25-18-8-10-19(11-9-18)27-12-14-29-15-13-27/h2-11,16H,12-15H2,1H3,(H,25,26).
What are the key properties of 7-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine?
7-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine has a molecular weight of 401.47 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 24801484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).