4-methyl-N-[3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-3-oxopropyl]benzamide

C16H20N4O3 — CID 90647350

IUPAC4-methyl-N-[3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-3-oxopropyl]benzamide
SMILESCc1ccc(C(=O)NCCC(=O)N(C)Cc2nnc(C)o2)cc1
InChIInChI=1S/C16H20N4O3/c1-11-4-6-13(7-5-11)16(22)17-9-8-15(21)20(3)10-14-19-18-12(2)23-14/h4-7H,8-10H2,1-3H3,(H,17,22)
InChIKeyZOIMAKKGYKVYSN-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.46
Rot. Bonds6

About 4-methyl-N-[3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-3-oxopropyl]benzamide

4-methyl-N-[3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-3-oxopropyl]benzamide (PubChem CID 90647350) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-methyl-N-[3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-3-oxopropyl]benzamide
PubChem CID90647350
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name4-methyl-N-[3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-3-oxopropyl]benzamide
SMILESCc1ccc(C(=O)NCCC(=O)N(C)Cc2nnc(C)o2)cc1
InChIInChI=1S/C16H20N4O3/c1-11-4-6-13(7-5-11)16(22)17-9-8-15(21)20(3)10-14-19-18-12(2)23-14/h4-7H,8-10H2,1-3H3,(H,17,22)
InChIKeyZOIMAKKGYKVYSN-UHFFFAOYSA-N
XLogP1.46
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-methyl-N-[3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-3-oxopropyl]benzamide (CID 90647350) is 4-methyl-N-[3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-methyl-N-[3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-3-oxopropyl]benzamide is Cc1ccc(C(=O)NCCC(=O)N(C)Cc2nnc(C)o2)cc1.
What is the InChIKey of 4-methyl-N-[3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-3-oxopropyl]benzamide?
The InChIKey is ZOIMAKKGYKVYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-4-6-13(7-5-11)16(22)17-9-8-15(21)20(3)10-14-19-18-12(2)23-14/h4-7H,8-10H2,1-3H3,(H,17,22).
What are the key properties of 4-methyl-N-[3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-3-oxopropyl]benzamide?
4-methyl-N-[3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-3-oxopropyl]benzamide has a molecular weight of 316.36 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 90647350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).