1-N-(3-methylbutyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide

C17H21N3O3 — CID 109048706

IUPAC1-N-(3-methylbutyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
SMILESCc1cc(NC(=O)c2ccc(C(=O)NCCC(C)C)cc2)no1
InChIInChI=1S/C17H21N3O3/c1-11(2)8-9-18-16(21)13-4-6-14(7-5-13)17(22)19-15-10-12(3)23-20-15/h4-7,10-11H,8-9H2,1-3H3,(H,18,21)(H,19,20,22)
InChIKeyZQMXOIDZWVXJIQ-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.01
Rot. Bonds6

About 1-N-(3-methylbutyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide

1-N-(3-methylbutyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide (PubChem CID 109048706) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-N-(3-methylbutyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methylbutyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
PubChem CID109048706
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-N-(3-methylbutyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
SMILESCc1cc(NC(=O)c2ccc(C(=O)NCCC(C)C)cc2)no1
InChIInChI=1S/C17H21N3O3/c1-11(2)8-9-18-16(21)13-4-6-14(7-5-13)17(22)19-15-10-12(3)23-20-15/h4-7,10-11H,8-9H2,1-3H3,(H,18,21)(H,19,20,22)
InChIKeyZQMXOIDZWVXJIQ-UHFFFAOYSA-N
XLogP3.01
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048796
N-(3-methylbutyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
CID 109239896
N-(3-methylbutyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 31334149
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62165645
1-N-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109051241
1-N-(3-methylbutyl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 109048639
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047624
1-N-(3-methoxypropyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109052820
1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 109049837
4-chloro-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4179187
N-[2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110671903

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylbutyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-methylbutyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide (CID 109048706) is 1-N-(3-methylbutyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-methylbutyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-methylbutyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide is Cc1cc(NC(=O)c2ccc(C(=O)NCCC(C)C)cc2)no1.
What is the InChIKey of 1-N-(3-methylbutyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide?
The InChIKey is ZQMXOIDZWVXJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11(2)8-9-18-16(21)13-4-6-14(7-5-13)17(22)19-15-10-12(3)23-20-15/h4-7,10-11H,8-9H2,1-3H3,(H,18,21)(H,19,20,22).
What are the key properties of 1-N-(3-methylbutyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide?
1-N-(3-methylbutyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide has a molecular weight of 315.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylbutyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109048706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).