methyl 4-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]butanoate

C18H22N2O5 — CID 2530370

IUPACmethyl 4-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)c1cccc(OCc2c(C)noc2C)c1
InChIInChI=1S/C18H22N2O5/c1-12-16(13(2)25-20-12)11-24-15-7-4-6-14(10-15)18(22)19-9-5-8-17(21)23-3/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,19,22)
InChIKeyVBKVLNZMVNHWJQ-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.55
Rot. Bonds8

About methyl 4-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]butanoate

methyl 4-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]butanoate (PubChem CID 2530370) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is methyl 4-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]butanoate
PubChem CID2530370
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Namemethyl 4-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)c1cccc(OCc2c(C)noc2C)c1
InChIInChI=1S/C18H22N2O5/c1-12-16(13(2)25-20-12)11-24-15-7-4-6-14(10-15)18(22)19-9-5-8-17(21)23-3/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,19,22)
InChIKeyVBKVLNZMVNHWJQ-UHFFFAOYSA-N
XLogP2.55
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(1-phenylethoxy)propyl]benzamide
CID 46557184
N-[2-(cyclopropanecarbonylamino)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 32969083
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120828194
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 55846787
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472943
methyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate
CID 46557017
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
CID 17441984
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]benzamide
CID 55620780
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 30832407
2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-propylbenzamide
CID 29409481
methyl (3R)-3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-thiophen-2-ylpropanoate
CID 30371680
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733641

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]butanoate?
The IUPAC name of methyl 4-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]butanoate (CID 2530370) is methyl 4-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]butanoate.
What is the SMILES notation for methyl 4-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]butanoate?
The canonical SMILES for methyl 4-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]butanoate is COC(=O)CCCNC(=O)c1cccc(OCc2c(C)noc2C)c1.
What is the InChIKey of methyl 4-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]butanoate?
The InChIKey is VBKVLNZMVNHWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-12-16(13(2)25-20-12)11-24-15-7-4-6-14(10-15)18(22)19-9-5-8-17(21)23-3/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,19,22).
What are the key properties of methyl 4-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]butanoate?
methyl 4-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]butanoate has a molecular weight of 346.38 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]butanoate is sourced from PubChem (CID 2530370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).