N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C17H21N5O2S — CID 24667961

IUPACN-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2cnc3onc(C(C)C)c3c2)s1
InChIInChI=1S/C17H21N5O2S/c1-4-5-6-7-13-20-21-17(25-13)19-15(23)11-8-12-14(10(2)3)22-24-16(12)18-9-11/h8-10H,4-7H2,1-3H3,(H,19,21,23)
InChIKeyGPQMHSNFGLCTTL-UHFFFAOYSA-N
MW359.46 g/mol
LogP4.18
Rot. Bonds7

About N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 24667961) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID24667961
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2cnc3onc(C(C)C)c3c2)s1
InChIInChI=1S/C17H21N5O2S/c1-4-5-6-7-13-20-21-17(25-13)19-15(23)11-8-12-14(10(2)3)22-24-16(12)18-9-11/h8-10H,4-7H2,1-3H3,(H,19,21,23)
InChIKeyGPQMHSNFGLCTTL-UHFFFAOYSA-N
XLogP4.18
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-triethoxy-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3749207
3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551224
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylthiophene-2-carboxamide
CID 60567181
3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 119679154
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
2-ethylsulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
CID 60567208
9-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)fluorene-2-carboxamide
CID 24617419
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(difluoromethylsulfanyl)benzamide
CID 24648203
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide
CID 169248406

Frequently Asked Questions

What is the IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 24667961) is N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CCCCCc1nnc(NC(=O)c2cnc3onc(C(C)C)c3c2)s1.
What is the InChIKey of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is GPQMHSNFGLCTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-4-5-6-7-13-20-21-17(25-13)19-15(23)11-8-12-14(10(2)3)22-24-16(12)18-9-11/h8-10H,4-7H2,1-3H3,(H,19,21,23).
What are the key properties of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 359.46 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 24667961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).