5-N-(3-cyanophenyl)-3-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide

C20H17N5O3S — CID 11951881

IUPAC5-N-(3-cyanophenyl)-3-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide
SMILESN#Cc1cccc(NC(=O)N2CCc3onc(C(=O)NCc4cccs4)c3C2)c1
InChIInChI=1S/C20H17N5O3S/c21-10-13-3-1-4-14(9-13)23-20(27)25-7-6-17-16(12-25)18(24-28-17)19(26)22-11-15-5-2-8-29-15/h1-5,8-9H,6-7,11-12H2,(H,22,26)(H,23,27)
InChIKeyKRQWYIPYRDBBMZ-UHFFFAOYSA-N
MW407.46 g/mol
LogP3.13
Rot. Bonds4

About 5-N-(3-cyanophenyl)-3-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide

5-N-(3-cyanophenyl)-3-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide (PubChem CID 11951881) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is 5-N-(3-cyanophenyl)-3-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-cyanophenyl)-3-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide
PubChem CID11951881
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC Name5-N-(3-cyanophenyl)-3-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide
SMILESN#Cc1cccc(NC(=O)N2CCc3onc(C(=O)NCc4cccs4)c3C2)c1
InChIInChI=1S/C20H17N5O3S/c21-10-13-3-1-4-14(9-13)23-20(27)25-7-6-17-16(12-25)18(24-28-17)19(26)22-11-15-5-2-8-29-15/h1-5,8-9H,6-7,11-12H2,(H,22,26)(H,23,27)
InChIKeyKRQWYIPYRDBBMZ-UHFFFAOYSA-N
XLogP3.13
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-(3-cyanophenyl)-3-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-5-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 40660417
N-(3-cyanophenyl)-5-oxo-1,4-diazepane-1-carboxamide
CID 60969059
6-butyl-N-(3-cyanophenyl)-8-methyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine-2-carboxamide
CID 66868403
N'-(3-cyano-5-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 139833872
(3S)-N-(3-cyanophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 51405847
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516885
(3R)-1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 7435297
(3R)-N-(3-cyanophenyl)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 95267695
N-[(3-cyanophenyl)methyl]-2-thiophen-2-ylacetamide
CID 47162733
N-(3-cyanophenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107615
N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95333968
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-cyanophenyl)-3-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3-cyanophenyl)-3-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide (CID 11951881) is 5-N-(3-cyanophenyl)-3-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-cyanophenyl)-3-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-cyanophenyl)-3-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide is N#Cc1cccc(NC(=O)N2CCc3onc(C(=O)NCc4cccs4)c3C2)c1.
What is the InChIKey of 5-N-(3-cyanophenyl)-3-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide?
The InChIKey is KRQWYIPYRDBBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c21-10-13-3-1-4-14(9-13)23-20(27)25-7-6-17-16(12-25)18(24-28-17)19(26)22-11-15-5-2-8-29-15/h1-5,8-9H,6-7,11-12H2,(H,22,26)(H,23,27).
What are the key properties of 5-N-(3-cyanophenyl)-3-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide?
5-N-(3-cyanophenyl)-3-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide has a molecular weight of 407.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-cyanophenyl)-3-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 11951881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).