N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(oxan-4-yloxymethyl)benzamide

C21H28N2O4 — CID 126768778

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(oxan-4-yloxymethyl)benzamide
SMILESCc1noc(C)c1C(C)CNC(=O)c1ccccc1COC1CCOCC1
InChIInChI=1S/C21H28N2O4/c1-14(20-15(2)23-27-16(20)3)12-22-21(24)19-7-5-4-6-17(19)13-26-18-8-10-25-11-9-18/h4-7,14,18H,8-13H2,1-3H3,(H,22,24)
InChIKeyDNFUQTVWTOUCAV-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.52
Rot. Bonds7

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(oxan-4-yloxymethyl)benzamide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(oxan-4-yloxymethyl)benzamide (PubChem CID 126768778) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(oxan-4-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(oxan-4-yloxymethyl)benzamide
PubChem CID126768778
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(oxan-4-yloxymethyl)benzamide
SMILESCc1noc(C)c1C(C)CNC(=O)c1ccccc1COC1CCOCC1
InChIInChI=1S/C21H28N2O4/c1-14(20-15(2)23-27-16(20)3)12-22-21(24)19-7-5-4-6-17(19)13-26-18-8-10-25-11-9-18/h4-7,14,18H,8-13H2,1-3H3,(H,22,24)
InChIKeyDNFUQTVWTOUCAV-UHFFFAOYSA-N
XLogP3.52
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(oxan-4-yloxymethyl)benzoate
CID 81434511
N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-[(S)-ethylsulfinyl]benzamide
CID 97240474
4-[[[2-(oxan-4-yloxymethyl)benzoyl]amino]methyl]benzoic acid
CID 119353331
2-[3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-oxopropyl]benzoic acid
CID 120552321
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(oxan-4-yloxymethyl)benzamide
CID 166416567
1-cyclopentyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-methylpyrazole-4-carboxamide
CID 99606970
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 75387651
2-[2-(oxan-4-yloxymethyl)phenyl]acetic acid
CID 113314325
3-(2-aminopropan-2-yl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,2-oxazole-4-carboxamide
CID 138005395
1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 124736927
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 146121769
2-[2-fluoro-4-[[2-(oxan-4-yloxymethyl)benzoyl]amino]phenyl]acetic acid
CID 122109590

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(oxan-4-yloxymethyl)benzamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(oxan-4-yloxymethyl)benzamide (CID 126768778) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(oxan-4-yloxymethyl)benzamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(oxan-4-yloxymethyl)benzamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(oxan-4-yloxymethyl)benzamide is Cc1noc(C)c1C(C)CNC(=O)c1ccccc1COC1CCOCC1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(oxan-4-yloxymethyl)benzamide?
The InChIKey is DNFUQTVWTOUCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-14(20-15(2)23-27-16(20)3)12-22-21(24)19-7-5-4-6-17(19)13-26-18-8-10-25-11-9-18/h4-7,14,18H,8-13H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(oxan-4-yloxymethyl)benzamide?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(oxan-4-yloxymethyl)benzamide has a molecular weight of 372.47 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(oxan-4-yloxymethyl)benzamide is sourced from PubChem (CID 126768778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).