N-(4,7-dimethyl-2-oxochromen-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C17H16N2O4 — CID 50951029

IUPACN-(4,7-dimethyl-2-oxochromen-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cc3c(C)cc(=O)oc3cc2C)o1
InChIInChI=1S/C17H16N2O4/c1-8-6-15(20)23-14-5-9(2)13(7-12(8)14)19-17(21)16-10(3)18-11(4)22-16/h5-7H,1-4H3,(H,19,21)
InChIKeyJSFIWBCHMALFBT-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.27
Rot. Bonds2

About N-(4,7-dimethyl-2-oxochromen-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(4,7-dimethyl-2-oxochromen-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 50951029) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(4,7-dimethyl-2-oxochromen-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4,7-dimethyl-2-oxochromen-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID50951029
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC NameN-(4,7-dimethyl-2-oxochromen-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cc3c(C)cc(=O)oc3cc2C)o1
InChIInChI=1S/C17H16N2O4/c1-8-6-15(20)23-14-5-9(2)13(7-12(8)14)19-17(21)16-10(3)18-11(4)22-16/h5-7H,1-4H3,(H,19,21)
InChIKeyJSFIWBCHMALFBT-UHFFFAOYSA-N
XLogP3.27
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4,6-dimethyl-2-oxochromen-7-yl)amino]-2-oxoacetic acid
CID 12906975
N-(4,7-dimethyl-2-oxochromen-6-yl)-1H-pyrrole-2-carboxamide
CID 50969470
3-bromo-N-(4,7-dimethyl-2-oxochromen-6-yl)benzamide
CID 1234118
N-(4,7-dimethyl-2-oxochromen-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 50965624
N-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113446
N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 5307726
N-(4,7-dimethyl-2-oxochromen-6-yl)oxolane-3-carboxamide
CID 50966473
N-(6-amino-1,3-benzodioxol-5-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 81483575
2-(2-aminoethoxy)-N-(4,7-dimethyl-2-oxochromen-6-yl)-5-methylbenzamide;hydrochloride
CID 172897097
3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid
CID 99644527
N-(2-bromo-5-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113249343
N-(5-bromo-2-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113247217

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethyl-2-oxochromen-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(4,7-dimethyl-2-oxochromen-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 50951029) is N-(4,7-dimethyl-2-oxochromen-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(4,7-dimethyl-2-oxochromen-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(4,7-dimethyl-2-oxochromen-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2cc3c(C)cc(=O)oc3cc2C)o1.
What is the InChIKey of N-(4,7-dimethyl-2-oxochromen-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is JSFIWBCHMALFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-8-6-15(20)23-14-5-9(2)13(7-12(8)14)19-17(21)16-10(3)18-11(4)22-16/h5-7H,1-4H3,(H,19,21).
What are the key properties of N-(4,7-dimethyl-2-oxochromen-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(4,7-dimethyl-2-oxochromen-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethyl-2-oxochromen-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 50951029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).