8-methyl-N-(3-morpholin-4-ylpropyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

C19H23N3O4 — CID 46273647

IUPAC8-methyl-N-(3-morpholin-4-ylpropyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCc1ccc2c(c1)-c1onc(C(=O)NCCCN3CCOCC3)c1CO2
InChIInChI=1S/C19H23N3O4/c1-13-3-4-16-14(11-13)18-15(12-25-16)17(21-26-18)19(23)20-5-2-6-22-7-9-24-10-8-22/h3-4,11H,2,5-10,12H2,1H3,(H,20,23)
InChIKeyTYQUXZORFJIVOK-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.99
Rot. Bonds5

About 8-methyl-N-(3-morpholin-4-ylpropyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

8-methyl-N-(3-morpholin-4-ylpropyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 46273647) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 8-methyl-N-(3-morpholin-4-ylpropyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound Name8-methyl-N-(3-morpholin-4-ylpropyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID46273647
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name8-methyl-N-(3-morpholin-4-ylpropyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCc1ccc2c(c1)-c1onc(C(=O)NCCCN3CCOCC3)c1CO2
InChIInChI=1S/C19H23N3O4/c1-13-3-4-16-14(11-13)18-15(12-25-16)17(21-26-18)19(23)20-5-2-6-22-7-9-24-10-8-22/h3-4,11H,2,5-10,12H2,1H3,(H,20,23)
InChIKeyTYQUXZORFJIVOK-UHFFFAOYSA-N
XLogP1.99
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 22551108
N-[3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 92864183
N-[3-(4-methylpiperidin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46271769
N-[(2S)-butan-2-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 92686767
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273683
2-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-oxazole-4-carboxamide
CID 42788139
(4-benzylpiperazin-1-yl)-(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)methanone
CID 22551053
N-[2-[[(2R)-butan-2-yl]-(furan-2-ylmethyl)amino]ethyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 92686795
N-(6-acetamido-3-pyridinyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273744
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(3-morpholin-4-ylpropyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of 8-methyl-N-(3-morpholin-4-ylpropyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (CID 46273647) is 8-methyl-N-(3-morpholin-4-ylpropyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for 8-methyl-N-(3-morpholin-4-ylpropyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for 8-methyl-N-(3-morpholin-4-ylpropyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is Cc1ccc2c(c1)-c1onc(C(=O)NCCCN3CCOCC3)c1CO2.
What is the InChIKey of 8-methyl-N-(3-morpholin-4-ylpropyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is TYQUXZORFJIVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13-3-4-16-14(11-13)18-15(12-25-16)17(21-26-18)19(23)20-5-2-6-22-7-9-24-10-8-22/h3-4,11H,2,5-10,12H2,1H3,(H,20,23).
What are the key properties of 8-methyl-N-(3-morpholin-4-ylpropyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
8-methyl-N-(3-morpholin-4-ylpropyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(3-morpholin-4-ylpropyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 46273647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).