N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide

C23H25N3O5 — CID 171915051

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide
SMILESCC(Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)N(C)Cc1noc(C2CC2)n1
InChIInChI=1S/C23H25N3O5/c1-13(22(27)26(2)12-20-24-21(31-25-20)14-7-8-14)29-15-9-10-17-16-5-3-4-6-18(16)23(28)30-19(17)11-15/h9-11,13-14H,3-8,12H2,1-2H3
InChIKeyUKGDCPDQOGQUQW-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.36
Rot. Bonds6

About N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide (PubChem CID 171915051) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide
PubChem CID171915051
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide
SMILESCC(Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)N(C)Cc1noc(C2CC2)n1
InChIInChI=1S/C23H25N3O5/c1-13(22(27)26(2)12-20-24-21(31-25-20)14-7-8-14)29-15-9-10-17-16-5-3-4-6-18(16)23(28)30-19(17)11-15/h9-11,13-14H,3-8,12H2,1-2H3
InChIKeyUKGDCPDQOGQUQW-UHFFFAOYSA-N
XLogP3.36
TPSA98.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide (CID 171915051) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide is CC(Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)N(C)Cc1noc(C2CC2)n1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide?
The InChIKey is UKGDCPDQOGQUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-13(22(27)26(2)12-20-24-21(31-25-20)14-7-8-14)29-15-9-10-17-16-5-3-4-6-18(16)23(28)30-19(17)11-15/h9-11,13-14H,3-8,12H2,1-2H3.
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide has a molecular weight of 423.47 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide is sourced from PubChem (CID 171915051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).