N-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(1,2-oxazol-3-ylmethyl)propanamide

C21H22N2O5 — CID 171386950

IUPACN-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(1,2-oxazol-3-ylmethyl)propanamide
SMILESCc1c(OC(C)C(=O)N(C)Cc2ccon2)ccc2c3c(c(=O)oc12)CCC3
InChIInChI=1S/C21H22N2O5/c1-12-18(27-13(2)20(24)23(3)11-14-9-10-26-22-14)8-7-16-15-5-4-6-17(15)21(25)28-19(12)16/h7-10,13H,4-6,11H2,1-3H3
InChIKeyBIDRRNYFCASLBV-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.00
Rot. Bonds5

About N-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(1,2-oxazol-3-ylmethyl)propanamide

N-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(1,2-oxazol-3-ylmethyl)propanamide (PubChem CID 171386950) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(1,2-oxazol-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(1,2-oxazol-3-ylmethyl)propanamide
PubChem CID171386950
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC NameN-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(1,2-oxazol-3-ylmethyl)propanamide
SMILESCc1c(OC(C)C(=O)N(C)Cc2ccon2)ccc2c3c(c(=O)oc12)CCC3
InChIInChI=1S/C21H22N2O5/c1-12-18(27-13(2)20(24)23(3)11-14-9-10-26-22-14)8-7-16-15-5-4-6-17(15)21(25)28-19(12)16/h7-10,13H,4-6,11H2,1-3H3
InChIKeyBIDRRNYFCASLBV-UHFFFAOYSA-N
XLogP3.00
TPSA85.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(1,2-oxazol-3-ylmethyl)propanamide?
The IUPAC name of N-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(1,2-oxazol-3-ylmethyl)propanamide (CID 171386950) is N-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(1,2-oxazol-3-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(1,2-oxazol-3-ylmethyl)propanamide?
The canonical SMILES for N-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(1,2-oxazol-3-ylmethyl)propanamide is Cc1c(OC(C)C(=O)N(C)Cc2ccon2)ccc2c3c(c(=O)oc12)CCC3.
What is the InChIKey of N-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(1,2-oxazol-3-ylmethyl)propanamide?
The InChIKey is BIDRRNYFCASLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-12-18(27-13(2)20(24)23(3)11-14-9-10-26-22-14)8-7-16-15-5-4-6-17(15)21(25)28-19(12)16/h7-10,13H,4-6,11H2,1-3H3.
What are the key properties of N-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(1,2-oxazol-3-ylmethyl)propanamide?
N-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(1,2-oxazol-3-ylmethyl)propanamide has a molecular weight of 382.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(1,2-oxazol-3-ylmethyl)propanamide is sourced from PubChem (CID 171386950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).