N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-pyridin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide

C22H26N4O3 — CID 127046570

IUPACN-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-pyridin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1cc(C)c(CNCC(NC(=O)c2cc(C)on2)c2ccncc2)cc1C
InChIInChI=1S/C22H26N4O3/c1-14-10-21(28-4)15(2)9-18(14)12-24-13-20(17-5-7-23-8-6-17)25-22(27)19-11-16(3)29-26-19/h5-11,20,24H,12-13H2,1-4H3,(H,25,27)
InChIKeyNXEVAQFSYPEADX-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.26
Rot. Bonds8

About N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-pyridin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-pyridin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 127046570) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-pyridin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-pyridin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID127046570
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-pyridin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1cc(C)c(CNCC(NC(=O)c2cc(C)on2)c2ccncc2)cc1C
InChIInChI=1S/C22H26N4O3/c1-14-10-21(28-4)15(2)9-18(14)12-24-13-20(17-5-7-23-8-6-17)25-22(27)19-11-16(3)29-26-19/h5-11,20,24H,12-13H2,1-4H3,(H,25,27)
InChIKeyNXEVAQFSYPEADX-UHFFFAOYSA-N
XLogP3.26
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-pyridin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

ML381
CID 42519285
Odm-207
CID 118224658
5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)isoxazole-3-carboxamide
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N-[(1S)-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 118796836
5-(2-methoxyphenyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 3236616
Dafadine-A
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5-(3-methoxyphenyl)-N-3-pyridinyl-3-isoxazolecarboxamide
CID 4519032
4-[5-(4-methoxyphenyl)-3-isoxazolyl]-N-(2-pyridinylmethyl)butanamide
CID 5308277
5-[(2,4-difluorophenoxy)methyl]-N-[1-methyl-2-(3-pyridinyl)ethyl]-3-isoxazolecarboxamide
CID 24790118
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-(4-pyridinyl)propyl]-3-isoxazolecarboxamide
CID 24790679
5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1S)-1-(pyridin-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 24791252
5-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 24792008

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-pyridin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-pyridin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 127046570) is N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-pyridin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-pyridin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-pyridin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide is COc1cc(C)c(CNCC(NC(=O)c2cc(C)on2)c2ccncc2)cc1C.
What is the InChIKey of N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-pyridin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is NXEVAQFSYPEADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14-10-21(28-4)15(2)9-18(14)12-24-13-20(17-5-7-23-8-6-17)25-22(27)19-11-16(3)29-26-19/h5-11,20,24H,12-13H2,1-4H3,(H,25,27).
What are the key properties of N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-pyridin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-pyridin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-pyridin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 127046570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).