N-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide

C17H21N3O4 — CID 3153701

IUPACN-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
SMILESCOc1ccc(CNC(=O)CCCC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C17H21N3O4/c1-12-10-15(20-24-12)19-17(22)5-3-4-16(21)18-11-13-6-8-14(23-2)9-7-13/h6-10H,3-5,11H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyYVKHDLOMDKPJFH-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.42
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide

N-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide (PubChem CID 3153701) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
PubChem CID3153701
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
SMILESCOc1ccc(CNC(=O)CCCC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C17H21N3O4/c1-12-10-15(20-24-12)19-17(22)5-3-4-16(21)18-11-13-6-8-14(23-2)9-7-13/h6-10H,3-5,11H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyYVKHDLOMDKPJFH-UHFFFAOYSA-N
XLogP2.42
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7959640
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 7466784
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108945355
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 7953626
5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide
CID 110298184
N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide
CID 71661021
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]butanamide
CID 108787746
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
3,5-dimethoxy-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide
CID 17191729
N-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide
CID 863139
N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 44996026

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide (CID 3153701) is N-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide is COc1ccc(CNC(=O)CCCC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide?
The InChIKey is YVKHDLOMDKPJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-12-10-15(20-24-12)19-17(22)5-3-4-16(21)18-11-13-6-8-14(23-2)9-7-13/h6-10H,3-5,11H2,1-2H3,(H,18,21)(H,19,20,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide?
N-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide has a molecular weight of 331.37 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide is sourced from PubChem (CID 3153701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).