N,N-dimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide

C27H26N4O4 — CID 46880739

IUPACN,N-dimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)cc4)c3o2)cc1
InChIInChI=1S/C27H26N4O4/c1-30(2)25(32)19-10-12-21(13-11-19)28-27-29-23-5-3-4-22(24(23)35-27)18-6-8-20(9-7-18)26(33)31-14-16-34-17-15-31/h3-13H,14-17H2,1-2H3,(H,28,29)
InChIKeyYHHXQBNEOPDJIV-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.41
Rot. Bonds5

About N,N-dimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide

N,N-dimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide (PubChem CID 46880739) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is N,N-dimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide
PubChem CID46880739
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC NameN,N-dimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)cc4)c3o2)cc1
InChIInChI=1S/C27H26N4O4/c1-30(2)25(32)19-10-12-21(13-11-19)28-27-29-23-5-3-4-22(24(23)35-27)18-6-8-20(9-7-18)26(33)31-14-16-34-17-15-31/h3-13H,14-17H2,1-2H3,(H,28,29)
InChIKeyYHHXQBNEOPDJIV-UHFFFAOYSA-N
XLogP4.41
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-4-[[7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide
CID 71122857
2-[4-[2-(4-methylsulfonylanilino)-1,3-benzoxazol-7-yl]phenyl]-1-morpholin-4-ylethanone
CID 67458919
[4-[2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-1,3-benzoxazol-7-yl]-2-methylphenyl]-morpholin-4-ylmethanone
CID 59144269
[2-methyl-4-[[7-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]-1,3-benzoxazol-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
CID 59144311
[4-[2-[4-(4-ethylpiperazin-1-yl)-3-methylanilino]-1,3-benzoxazol-7-yl]-2,6-difluorophenyl]-morpholin-4-ylmethanone
CID 59144249
[4-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylanilino]-1,3-benzoxazol-7-yl]-2-methylphenyl]-morpholin-4-ylmethanone
CID 59144237
4-[[7-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-1,3-benzoxazol-2-yl]amino]-N,2-dimethylbenzamide
CID 46865430
N,N-dimethyl-4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929598
7-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine
CID 24801484
2-[4-[2-[4-(4-cyclopropylpiperazin-1-yl)-3-methylanilino]-1,3-benzoxazol-7-yl]phenyl]-2-methyl-1-morpholin-4-ylpropan-1-one
CID 59144219
[4-[[4-(4-chlorophenyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 75511167
N,N-dimethyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54840817

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide (CID 46880739) is N,N-dimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide is CN(C)C(=O)c1ccc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)cc4)c3o2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide?
The InChIKey is YHHXQBNEOPDJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4/c1-30(2)25(32)19-10-12-21(13-11-19)28-27-29-23-5-3-4-22(24(23)35-27)18-6-8-20(9-7-18)26(33)31-14-16-34-17-15-31/h3-13H,14-17H2,1-2H3,(H,28,29).
What are the key properties of N,N-dimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide?
N,N-dimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide has a molecular weight of 470.53 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide is sourced from PubChem (CID 46880739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).