morpholin-4-yl-[4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]phenyl]methanone

C27H27N3O6 — CID 46880687

IUPACmorpholin-4-yl-[4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]phenyl]methanone
SMILESCOc1cc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)cc4)c3o2)cc(OC)c1OC
InChIInChI=1S/C27H27N3O6/c1-32-22-15-19(16-23(33-2)25(22)34-3)28-27-29-21-6-4-5-20(24(21)36-27)17-7-9-18(10-8-17)26(31)30-11-13-35-14-12-30/h4-10,15-16H,11-14H2,1-3H3,(H,28,29)
InChIKeyRGJMICFWNAVTAA-UHFFFAOYSA-N
MW489.53 g/mol
LogP4.74
Rot. Bonds7

About morpholin-4-yl-[4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]phenyl]methanone

morpholin-4-yl-[4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]phenyl]methanone (PubChem CID 46880687) has the molecular formula C27H27N3O6 and a molecular weight of 489.53 g/mol. Its IUPAC name is morpholin-4-yl-[4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]phenyl]methanone
PubChem CID46880687
Molecular FormulaC27H27N3O6
Molecular Weight489.53 g/mol
Exact Mass489.19
IUPAC Namemorpholin-4-yl-[4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]phenyl]methanone
SMILESCOc1cc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)cc4)c3o2)cc(OC)c1OC
InChIInChI=1S/C27H27N3O6/c1-32-22-15-19(16-23(33-2)25(22)34-3)28-27-29-21-6-4-5-20(24(21)36-27)17-7-9-18(10-8-17)26(31)30-11-13-35-14-12-30/h4-10,15-16H,11-14H2,1-3H3,(H,28,29)
InChIKeyRGJMICFWNAVTAA-UHFFFAOYSA-N
XLogP4.74
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze morpholin-4-yl-[4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]phenyl]methanone with MolForge

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Related Compounds

7-(2-Fluoro-6-Methoxyphenyl)-N-(3,4,5-Trimethoxyphenyl)-1,3-Benzoxazol-2-Amine
CID 72771105
7-phenyl-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-2-amine
CID 24800423
7-(2-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
CID 24800600
7-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-2-amine
CID 24800602
7-(3-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-2-amine
CID 24800604
7-(quinolin-6-yl)-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-2-amine
CID 24800776
N-(4-(2-(3,4,5-trimethoxyphenylamino)benzo[d]oxazol-7-yl)phenyl)methanesulfonamide
CID 24801129
7-(pyridin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-2-amine
CID 24801650
4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benzo[d]oxazol-2-ylamino)-N,N,2-trimethylbenzamide
CID 46865431
N,N,2-trimethyl-4-(7-(4-(morpholine-4-carbonyl)phenyl)benzo[d]oxazol-2-ylamino)benzamide
CID 46865657
N-(3-(2-(3,4,5-trimethoxyphenylamino)benzo[d]oxazol-7-yl)phenyl)methanesulfonamide
CID 46880686
7-(4-(morpholinomethyl)phenyl)-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-2-amine
CID 46880738

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]phenyl]methanone (CID 46880687) is morpholin-4-yl-[4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]phenyl]methanone is COc1cc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)cc4)c3o2)cc(OC)c1OC.
What is the InChIKey of morpholin-4-yl-[4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]phenyl]methanone?
The InChIKey is RGJMICFWNAVTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O6/c1-32-22-15-19(16-23(33-2)25(22)34-3)28-27-29-21-6-4-5-20(24(21)36-27)17-7-9-18(10-8-17)26(31)30-11-13-35-14-12-30/h4-10,15-16H,11-14H2,1-3H3,(H,28,29).
What are the key properties of morpholin-4-yl-[4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]phenyl]methanone?
morpholin-4-yl-[4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]phenyl]methanone has a molecular weight of 489.53 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]phenyl]methanone is sourced from PubChem (CID 46880687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).