N-[2-[[2,5-dimethyl-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide

C28H30N4O3 — CID 127046003

IUPACN-[2-[[2,5-dimethyl-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(CNCc2cc(C)c(OCc3ccncc3)cc2C)c2ccccc2)no1
InChIInChI=1S/C28H30N4O3/c1-19-14-27(34-18-22-9-11-29-12-10-22)20(2)13-24(19)16-30-17-26(23-7-5-4-6-8-23)31-28(33)25-15-21(3)35-32-25/h4-15,26,30H,16-18H2,1-3H3,(H,31,33)
InChIKeyWQETWIGWTHSNEF-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.83
Rot. Bonds10

About N-[2-[[2,5-dimethyl-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[2-[[2,5-dimethyl-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 127046003) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[2-[[2,5-dimethyl-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2,5-dimethyl-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID127046003
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC NameN-[2-[[2,5-dimethyl-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(CNCc2cc(C)c(OCc3ccncc3)cc2C)c2ccccc2)no1
InChIInChI=1S/C28H30N4O3/c1-19-14-27(34-18-22-9-11-29-12-10-22)20(2)13-24(19)16-30-17-26(23-7-5-4-6-8-23)31-28(33)25-15-21(3)35-32-25/h4-15,26,30H,16-18H2,1-3H3,(H,31,33)
InChIKeyWQETWIGWTHSNEF-UHFFFAOYSA-N
XLogP4.83
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2,5-dimethyl-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[[2,5-dimethyl-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 127046003) is N-[2-[[2,5-dimethyl-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[[2,5-dimethyl-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[[2,5-dimethyl-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC(CNCc2cc(C)c(OCc3ccncc3)cc2C)c2ccccc2)no1.
What is the InChIKey of N-[2-[[2,5-dimethyl-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is WQETWIGWTHSNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-19-14-27(34-18-22-9-11-29-12-10-22)20(2)13-24(19)16-30-17-26(23-7-5-4-6-8-23)31-28(33)25-15-21(3)35-32-25/h4-15,26,30H,16-18H2,1-3H3,(H,31,33).
What are the key properties of N-[2-[[2,5-dimethyl-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-[[2,5-dimethyl-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 4.83, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2,5-dimethyl-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 127046003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).