7,8-dimethyl-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-4-oxochromene-2-carboxamide

C20H20N2O4 — CID 35131763

IUPAC7,8-dimethyl-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-4-oxochromene-2-carboxamide
SMILESCc1ccc2c(=O)cc(C(=O)Nc3onc4c3C[C@@H](C)CC4)oc2c1C
InChIInChI=1S/C20H20N2O4/c1-10-4-7-15-14(8-10)20(26-22-15)21-19(24)17-9-16(23)13-6-5-11(2)12(3)18(13)25-17/h5-6,9-10H,4,7-8H2,1-3H3,(H,21,24)/t10-/m0/s1
InChIKeyOWZVACYBCJBAIL-JTQLQIEISA-N
MW352.39 g/mol
LogP3.77
Rot. Bonds2

About 7,8-dimethyl-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-4-oxochromene-2-carboxamide

7,8-dimethyl-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-4-oxochromene-2-carboxamide (PubChem CID 35131763) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 7,8-dimethyl-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name7,8-dimethyl-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-4-oxochromene-2-carboxamide
PubChem CID35131763
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name7,8-dimethyl-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-4-oxochromene-2-carboxamide
SMILESCc1ccc2c(=O)cc(C(=O)Nc3onc4c3C[C@@H](C)CC4)oc2c1C
InChIInChI=1S/C20H20N2O4/c1-10-4-7-15-14(8-10)20(26-22-15)21-19(24)17-9-16(23)13-6-5-11(2)12(3)18(13)25-17/h5-6,9-10H,4,7-8H2,1-3H3,(H,21,24)/t10-/m0/s1
InChIKeyOWZVACYBCJBAIL-JTQLQIEISA-N
XLogP3.77
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-4-oxochromene-2-carboxamide?
The IUPAC name of 7,8-dimethyl-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-4-oxochromene-2-carboxamide (CID 35131763) is 7,8-dimethyl-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 7,8-dimethyl-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 7,8-dimethyl-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-4-oxochromene-2-carboxamide is Cc1ccc2c(=O)cc(C(=O)Nc3onc4c3C[C@@H](C)CC4)oc2c1C.
What is the InChIKey of 7,8-dimethyl-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-4-oxochromene-2-carboxamide?
The InChIKey is OWZVACYBCJBAIL-JTQLQIEISA-N. The full InChI is InChI=1S/C20H20N2O4/c1-10-4-7-15-14(8-10)20(26-22-15)21-19(24)17-9-16(23)13-6-5-11(2)12(3)18(13)25-17/h5-6,9-10H,4,7-8H2,1-3H3,(H,21,24)/t10-/m0/s1.
What are the key properties of 7,8-dimethyl-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-4-oxochromene-2-carboxamide?
7,8-dimethyl-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-4-oxochromene-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 35131763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).