5-thiophen-2-yl-N-[(1R,4R)-1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl]-1,3-oxazole-4-carboxamide

C22H21N3O3S — CID 7451570

IUPAC5-thiophen-2-yl-N-[(1R,4R)-1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl]-1,3-oxazole-4-carboxamide
SMILESC[C@@H]1CN(C)[C@H](C)c2c1oc1ccc(NC(=O)c3ncoc3-c3cccs3)cc21
InChIInChI=1S/C22H21N3O3S/c1-12-10-25(3)13(2)18-15-9-14(6-7-16(15)28-20(12)18)24-22(26)19-21(27-11-23-19)17-5-4-8-29-17/h4-9,11-13H,10H2,1-3H3,(H,24,26)/t12-,13-/m1/s1
InChIKeyNATIKTRDTUWVJS-CHWSQXEVSA-N
MW407.50 g/mol
LogP5.51
Rot. Bonds3

About 5-thiophen-2-yl-N-[(1R,4R)-1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl]-1,3-oxazole-4-carboxamide

5-thiophen-2-yl-N-[(1R,4R)-1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl]-1,3-oxazole-4-carboxamide (PubChem CID 7451570) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 5-thiophen-2-yl-N-[(1R,4R)-1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-thiophen-2-yl-N-[(1R,4R)-1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl]-1,3-oxazole-4-carboxamide
PubChem CID7451570
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name5-thiophen-2-yl-N-[(1R,4R)-1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl]-1,3-oxazole-4-carboxamide
SMILESC[C@@H]1CN(C)[C@H](C)c2c1oc1ccc(NC(=O)c3ncoc3-c3cccs3)cc21
InChIInChI=1S/C22H21N3O3S/c1-12-10-25(3)13(2)18-15-9-14(6-7-16(15)28-20(12)18)24-22(26)19-21(27-11-23-19)17-5-4-8-29-17/h4-9,11-13H,10H2,1-3H3,(H,24,26)/t12-,13-/m1/s1
InChIKeyNATIKTRDTUWVJS-CHWSQXEVSA-N
XLogP5.51
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.50
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-thiophen-2-yl-N-[(1R,4R)-1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-(3-fluoro-4-methylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
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N-[3-carbamoyl-4-(2-methylpiperidin-1-yl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 110219072
N-(3-ethylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
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N-[4-(1-morpholin-4-ylethyl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 75463337
N-(6-benzamido-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 75467874
N-(2-carbamoylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 16672225
N-(2-aminoethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide;hydrochloride
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N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 86899332
[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone
CID 95315636
N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-N-[(1R,4R)-1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-thiophen-2-yl-N-[(1R,4R)-1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl]-1,3-oxazole-4-carboxamide (CID 7451570) is 5-thiophen-2-yl-N-[(1R,4R)-1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-thiophen-2-yl-N-[(1R,4R)-1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-thiophen-2-yl-N-[(1R,4R)-1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl]-1,3-oxazole-4-carboxamide is C[C@@H]1CN(C)[C@H](C)c2c1oc1ccc(NC(=O)c3ncoc3-c3cccs3)cc21.
What is the InChIKey of 5-thiophen-2-yl-N-[(1R,4R)-1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is NATIKTRDTUWVJS-CHWSQXEVSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-12-10-25(3)13(2)18-15-9-14(6-7-16(15)28-20(12)18)24-22(26)19-21(27-11-23-19)17-5-4-8-29-17/h4-9,11-13H,10H2,1-3H3,(H,24,26)/t12-,13-/m1/s1.
What are the key properties of 5-thiophen-2-yl-N-[(1R,4R)-1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl]-1,3-oxazole-4-carboxamide?
5-thiophen-2-yl-N-[(1R,4R)-1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-N-[(1R,4R)-1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 7451570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).