6-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,4-oxazepane-4-carboxamide

C12H15N5O3S — CID 154876348

IUPAC6-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,4-oxazepane-4-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1nccs1)N1CCOCC(O)C1
InChIInChI=1S/C12H15N5O3S/c18-8-6-17(2-3-20-7-8)12(19)15-9-5-14-16-10(9)11-13-1-4-21-11/h1,4-5,8,18H,2-3,6-7H2,(H,14,16)(H,15,19)
InChIKeyMKDMCSJKHLTXBM-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.76
Rot. Bonds2

About 6-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,4-oxazepane-4-carboxamide

6-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,4-oxazepane-4-carboxamide (PubChem CID 154876348) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 6-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,4-oxazepane-4-carboxamide
PubChem CID154876348
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name6-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,4-oxazepane-4-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1nccs1)N1CCOCC(O)C1
InChIInChI=1S/C12H15N5O3S/c18-8-6-17(2-3-20-7-8)12(19)15-9-5-14-16-10(9)11-13-1-4-21-11/h1,4-5,8,18H,2-3,6-7H2,(H,14,16)(H,15,19)
InChIKeyMKDMCSJKHLTXBM-UHFFFAOYSA-N
XLogP0.76
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,4-oxazepane-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,4-oxazepane-4-carboxamide?
The IUPAC name of 6-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,4-oxazepane-4-carboxamide (CID 154876348) is 6-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for 6-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,4-oxazepane-4-carboxamide?
The canonical SMILES for 6-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,4-oxazepane-4-carboxamide is O=C(Nc1cn[nH]c1-c1nccs1)N1CCOCC(O)C1.
What is the InChIKey of 6-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,4-oxazepane-4-carboxamide?
The InChIKey is MKDMCSJKHLTXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c18-8-6-17(2-3-20-7-8)12(19)15-9-5-14-16-10(9)11-13-1-4-21-11/h1,4-5,8,18H,2-3,6-7H2,(H,14,16)(H,15,19).
What are the key properties of 6-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,4-oxazepane-4-carboxamide?
6-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,4-oxazepane-4-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 154876348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).