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

C28H28N4O4 — CID 46865657

IUPACN,N,2-trimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide
SMILESCc1cc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)cc4)c3o2)ccc1C(=O)N(C)C
InChIInChI=1S/C28H28N4O4/c1-18-17-21(11-12-22(18)27(34)31(2)3)29-28-30-24-6-4-5-23(25(24)36-28)19-7-9-20(10-8-19)26(33)32-13-15-35-16-14-32/h4-12,17H,13-16H2,1-3H3,(H,29,30)
InChIKeyCNRQOXNRQIWKIQ-UHFFFAOYSA-N
MW484.56 g/mol
LogP4.72
Rot. Bonds5

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

N,N,2-trimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide (PubChem CID 46865657) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is N,N,2-trimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide.

Molecular Properties

Compound NameN,N,2-trimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide
PubChem CID46865657
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC NameN,N,2-trimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide
SMILESCc1cc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)cc4)c3o2)ccc1C(=O)N(C)C
InChIInChI=1S/C28H28N4O4/c1-18-17-21(11-12-22(18)27(34)31(2)3)29-28-30-24-6-4-5-23(25(24)36-28)19-7-9-20(10-8-19)26(33)32-13-15-35-16-14-32/h4-12,17H,13-16H2,1-3H3,(H,29,30)
InChIKeyCNRQOXNRQIWKIQ-UHFFFAOYSA-N
XLogP4.72
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N~2~-1,3-Benzoxazol-2-YL-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-L-alaninamide
CID 6420159
N-(4-Ethylphenyl)-5-methylbenzo[d]oxazol-2-amine
CID 24759786
Ethyl 3-phenyl-2-[(5-propan-2-yl-1,3-benzoxazol-2-yl)amino]propanoate
CID 44383735
Tert-butyl 4-[2-[(5-methyl-1,3-benzoxazol-2-yl)amino]-2-oxoethyl]piperidine-1-carboxylate
CID 51039194
N-(2-cyclohexyl-1-phenylethyl)-1,3-benzoxazol-2-amine
CID 10064642
N-(2-cyclohexyl-1-phenylethyl)-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 10428758
3-[4-[2-[1,3-Benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[2-(2-methylbenzoyl)anilino]propanoic acid
CID 10650300
3-[4-[2-[1,3-Benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[2-(4-methylbenzoyl)anilino]propanoic acid
CID 10792741
N-(1-((1,4-dimethoxynaphthalen-2-yl)methyl)piperidin-4-yl)benzo[d]oxazol-2-amine
CID 24740749
N-(1-(3-ethoxy-4-methylbenzyl)piperidin-4-yl)benzo[d]oxazol-2-amine
CID 24740864
Methyl 6-(4-((4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)benzamido)methyl)piperidin-1-yl)picolinate
CID 25170006
4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(6-(trifluoromethyl)pyridin-2-yl)piperidin-4-yl)methyl)benzamide
CID 25170009

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide?
The IUPAC name of N,N,2-trimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide (CID 46865657) is N,N,2-trimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide.
What is the SMILES notation for N,N,2-trimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide?
The canonical SMILES for N,N,2-trimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide is Cc1cc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)cc4)c3o2)ccc1C(=O)N(C)C.
What is the InChIKey of N,N,2-trimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide?
The InChIKey is CNRQOXNRQIWKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-18-17-21(11-12-22(18)27(34)31(2)3)29-28-30-24-6-4-5-23(25(24)36-28)19-7-9-20(10-8-19)26(33)32-13-15-35-16-14-32/h4-12,17H,13-16H2,1-3H3,(H,29,30).
What are the key properties of N,N,2-trimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide?
N,N,2-trimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide has a molecular weight of 484.56 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide is sourced from PubChem (CID 46865657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).