N-[(2R)-1-morpholin-4-ylbutan-2-yl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide

C18H23N3O3S — CID 92724412

IUPACN-[(2R)-1-morpholin-4-ylbutan-2-yl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
SMILESCC[C@H](CN1CCOCC1)NC(=O)c1noc2c1CCc1sccc1-2
InChIInChI=1S/C18H23N3O3S/c1-2-12(11-21-6-8-23-9-7-21)19-18(22)16-14-3-4-15-13(5-10-25-15)17(14)24-20-16/h5,10,12H,2-4,6-9,11H2,1H3,(H,19,22)/t12-/m1/s1
InChIKeyMNQPGSFNAPKHEE-GFCCVEGCSA-N
MW361.47 g/mol
LogP2.34
Rot. Bonds5

About N-[(2R)-1-morpholin-4-ylbutan-2-yl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide

N-[(2R)-1-morpholin-4-ylbutan-2-yl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide (PubChem CID 92724412) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[(2R)-1-morpholin-4-ylbutan-2-yl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-morpholin-4-ylbutan-2-yl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
PubChem CID92724412
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[(2R)-1-morpholin-4-ylbutan-2-yl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
SMILESCC[C@H](CN1CCOCC1)NC(=O)c1noc2c1CCc1sccc1-2
InChIInChI=1S/C18H23N3O3S/c1-2-12(11-21-6-8-23-9-7-21)19-18(22)16-14-3-4-15-13(5-10-25-15)17(14)24-20-16/h5,10,12H,2-4,6-9,11H2,1H3,(H,19,22)/t12-/m1/s1
InChIKeyMNQPGSFNAPKHEE-GFCCVEGCSA-N
XLogP2.34
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-morpholin-4-ylbutan-2-yl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of N-[(2R)-1-morpholin-4-ylbutan-2-yl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide (CID 92724412) is N-[(2R)-1-morpholin-4-ylbutan-2-yl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-morpholin-4-ylbutan-2-yl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for N-[(2R)-1-morpholin-4-ylbutan-2-yl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide is CC[C@H](CN1CCOCC1)NC(=O)c1noc2c1CCc1sccc1-2.
What is the InChIKey of N-[(2R)-1-morpholin-4-ylbutan-2-yl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The InChIKey is MNQPGSFNAPKHEE-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-2-12(11-21-6-8-23-9-7-21)19-18(22)16-14-3-4-15-13(5-10-25-15)17(14)24-20-16/h5,10,12H,2-4,6-9,11H2,1H3,(H,19,22)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-morpholin-4-ylbutan-2-yl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
N-[(2R)-1-morpholin-4-ylbutan-2-yl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-morpholin-4-ylbutan-2-yl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 92724412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).