3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propyl-1,2-oxazole-5-carboxamide

C16H23N3O4 — CID 67492257

IUPAC3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propyl-1,2-oxazole-5-carboxamide
SMILESCCCCc1noc(C)c1COc1cc(C(=O)NCCC)on1
InChIInChI=1S/C16H23N3O4/c1-4-6-7-13-12(11(3)22-18-13)10-21-15-9-14(23-19-15)16(20)17-8-5-2/h9H,4-8,10H2,1-3H3,(H,17,20)
InChIKeyFDLAEZBEOUAOBC-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.03
Rot. Bonds9

About 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propyl-1,2-oxazole-5-carboxamide

3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propyl-1,2-oxazole-5-carboxamide (PubChem CID 67492257) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propyl-1,2-oxazole-5-carboxamide
PubChem CID67492257
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propyl-1,2-oxazole-5-carboxamide
SMILESCCCCc1noc(C)c1COc1cc(C(=O)NCCC)on1
InChIInChI=1S/C16H23N3O4/c1-4-6-7-13-12(11(3)22-18-13)10-21-15-9-14(23-19-15)16(20)17-8-5-2/h9H,4-8,10H2,1-3H3,(H,17,20)
InChIKeyFDLAEZBEOUAOBC-UHFFFAOYSA-N
XLogP3.03
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 59568483
methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-4-carboxylate
CID 66643769
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propan-2-ylpyridazine-3-carboxamide
CID 66643929
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide
CID 59568392
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 66598335
2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide
CID 66643784
N-butyl-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573751
3-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-propyl-1,2-oxazole-5-carboxamide
CID 67492440
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
CID 59568543
(2-amino-2-oxoethyl) 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1-methylpyrazole-5-carboxylate
CID 66643741
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1H-pyrazole-5-carboxylic acid;oxolane
CID 158136847
N-(2-phenylethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574114

Frequently Asked Questions

What is the IUPAC name of 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propyl-1,2-oxazole-5-carboxamide (CID 67492257) is 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propyl-1,2-oxazole-5-carboxamide is CCCCc1noc(C)c1COc1cc(C(=O)NCCC)on1.
What is the InChIKey of 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propyl-1,2-oxazole-5-carboxamide?
The InChIKey is FDLAEZBEOUAOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-4-6-7-13-12(11(3)22-18-13)10-21-15-9-14(23-19-15)16(20)17-8-5-2/h9H,4-8,10H2,1-3H3,(H,17,20).
What are the key properties of 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propyl-1,2-oxazole-5-carboxamide?
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propyl-1,2-oxazole-5-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 67492257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).