N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

C21H20N2O5 — CID 22551069

IUPACN-(2,4-dimethoxyphenyl)-N,8-dimethyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2noc3c2COc2ccc(C)cc2-3)c(OC)c1
InChIInChI=1S/C21H20N2O5/c1-12-5-8-17-14(9-12)20-15(11-27-17)19(22-28-20)21(24)23(2)16-7-6-13(25-3)10-18(16)26-4/h5-10H,11H2,1-4H3
InChIKeyVOFZPHOVUHTPBP-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.84
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 22551069) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N,8-dimethyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID22551069
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC NameN-(2,4-dimethoxyphenyl)-N,8-dimethyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2noc3c2COc2ccc(C)cc2-3)c(OC)c1
InChIInChI=1S/C21H20N2O5/c1-12-5-8-17-14(9-12)20-15(11-27-17)19(22-28-20)21(24)23(2)16-7-6-13(25-3)10-18(16)26-4/h5-10H,11H2,1-4H3
InChIKeyVOFZPHOVUHTPBP-UHFFFAOYSA-N
XLogP3.84
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (CID 22551069) is N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is COc1ccc(N(C)C(=O)c2noc3c2COc2ccc(C)cc2-3)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is VOFZPHOVUHTPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-12-5-8-17-14(9-12)20-15(11-27-17)19(22-28-20)21(24)23(2)16-7-6-13(25-3)10-18(16)26-4/h5-10H,11H2,1-4H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 22551069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).