2-pyrazol-1-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide

C19H20N4O3S — CID 91771077

IUPAC2-pyrazol-1-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccccc1-n1cccn1
InChIInChI=1S/C19H20N4O3S/c24-19(15-4-1-2-5-17(15)23-8-3-7-21-23)22-16-6-9-25-11-18(16)26-10-14-12-27-13-20-14/h1-5,7-8,12-13,16,18H,6,9-11H2,(H,22,24)/t16-,18-/m1/s1
InChIKeyLRLZIFWVBIFMQC-SJLPKXTDSA-N
MW384.46 g/mol
LogP2.43
Rot. Bonds6

About 2-pyrazol-1-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide

2-pyrazol-1-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide (PubChem CID 91771077) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide
PubChem CID91771077
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name2-pyrazol-1-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccccc1-n1cccn1
InChIInChI=1S/C19H20N4O3S/c24-19(15-4-1-2-5-17(15)23-8-3-7-21-23)22-16-6-9-25-11-18(16)26-10-14-12-27-13-20-14/h1-5,7-8,12-13,16,18H,6,9-11H2,(H,22,24)/t16-,18-/m1/s1
InChIKeyLRLZIFWVBIFMQC-SJLPKXTDSA-N
XLogP2.43
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide?
The IUPAC name of 2-pyrazol-1-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide (CID 91771077) is 2-pyrazol-1-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide.
What is the SMILES notation for 2-pyrazol-1-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide?
The canonical SMILES for 2-pyrazol-1-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide is O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccccc1-n1cccn1.
What is the InChIKey of 2-pyrazol-1-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide?
The InChIKey is LRLZIFWVBIFMQC-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H20N4O3S/c24-19(15-4-1-2-5-17(15)23-8-3-7-21-23)22-16-6-9-25-11-18(16)26-10-14-12-27-13-20-14/h1-5,7-8,12-13,16,18H,6,9-11H2,(H,22,24)/t16-,18-/m1/s1.
What are the key properties of 2-pyrazol-1-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide?
2-pyrazol-1-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide has a molecular weight of 384.46 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide is sourced from PubChem (CID 91771077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).