4-(1H-pyrazol-5-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide

C19H20N4O3S — CID 91772804

IUPAC4-(1H-pyrazol-5-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C19H20N4O3S/c24-19(14-3-1-13(2-4-14)16-5-7-21-23-16)22-17-6-8-25-10-18(17)26-9-15-11-27-12-20-15/h1-5,7,11-12,17-18H,6,8-10H2,(H,21,23)(H,22,24)/t17-,18-/m1/s1
InChIKeyQLZLPKUYXCHCSO-QZTJIDSGSA-N
MW384.46 g/mol
LogP2.64
Rot. Bonds6

About 4-(1H-pyrazol-5-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide

4-(1H-pyrazol-5-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide (PubChem CID 91772804) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-(1H-pyrazol-5-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide.

Molecular Properties

Compound Name4-(1H-pyrazol-5-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide
PubChem CID91772804
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name4-(1H-pyrazol-5-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C19H20N4O3S/c24-19(14-3-1-13(2-4-14)16-5-7-21-23-16)22-17-6-8-25-10-18(17)26-9-15-11-27-12-20-15/h1-5,7,11-12,17-18H,6,8-10H2,(H,21,23)(H,22,24)/t17-,18-/m1/s1
InChIKeyQLZLPKUYXCHCSO-QZTJIDSGSA-N
XLogP2.64
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-5-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide?
The IUPAC name of 4-(1H-pyrazol-5-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide (CID 91772804) is 4-(1H-pyrazol-5-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide.
What is the SMILES notation for 4-(1H-pyrazol-5-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide?
The canonical SMILES for 4-(1H-pyrazol-5-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide is O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 4-(1H-pyrazol-5-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide?
The InChIKey is QLZLPKUYXCHCSO-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H20N4O3S/c24-19(14-3-1-13(2-4-14)16-5-7-21-23-16)22-17-6-8-25-10-18(17)26-9-15-11-27-12-20-15/h1-5,7,11-12,17-18H,6,8-10H2,(H,21,23)(H,22,24)/t17-,18-/m1/s1.
What are the key properties of 4-(1H-pyrazol-5-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide?
4-(1H-pyrazol-5-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 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-5-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide is sourced from PubChem (CID 91772804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).