N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide

C19H20N2O5 — CID 171387932

IUPACN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide
SMILESCCc1cc(CNC(=O)c2cc3ccc(OC(C)C)cc3oc2=O)on1
InChIInChI=1S/C19H20N2O5/c1-4-13-8-15(26-21-13)10-20-18(22)16-7-12-5-6-14(24-11(2)3)9-17(12)25-19(16)23/h5-9,11H,4,10H2,1-3H3,(H,20,22)
InChIKeyCQDOFMDLWFQBHR-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.06
Rot. Bonds6

About N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide (PubChem CID 171387932) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide
PubChem CID171387932
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide
SMILESCCc1cc(CNC(=O)c2cc3ccc(OC(C)C)cc3oc2=O)on1
InChIInChI=1S/C19H20N2O5/c1-4-13-8-15(26-21-13)10-20-18(22)16-7-12-5-6-14(24-11(2)3)9-17(12)25-19(16)23/h5-9,11H,4,10H2,1-3H3,(H,20,22)
InChIKeyCQDOFMDLWFQBHR-UHFFFAOYSA-N
XLogP3.06
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-7-propan-2-yloxy-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]chromene-3-carboxamide
CID 171915356
2-oxo-7-propan-2-yloxy-N-(pyridin-3-ylmethyl)chromene-3-carboxamide
CID 171388806
N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide
CID 171907057
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide
CID 171914487
7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
CID 5262259
7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 5262910
[3-(2-methylpropylcarbamoyl)-2-oxochromen-7-yl] 2-methylpropanoate
CID 19185670
N-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263602
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide
CID 171913252
[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate
CID 19182034
[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] acetate
CID 19185609
N-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide
CID 171908403

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide?
The IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide (CID 171387932) is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide?
The canonical SMILES for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide is CCc1cc(CNC(=O)c2cc3ccc(OC(C)C)cc3oc2=O)on1.
What is the InChIKey of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide?
The InChIKey is CQDOFMDLWFQBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-4-13-8-15(26-21-13)10-20-18(22)16-7-12-5-6-14(24-11(2)3)9-17(12)25-19(16)23/h5-9,11H,4,10H2,1-3H3,(H,20,22).
What are the key properties of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide?
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide is sourced from PubChem (CID 171387932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).