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

C19H20N4O3S — CID 164637447

IUPAC3-(1H-imidazol-2-yl)-N-[(3R,4S)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide
SMILESO=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)c1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C19H20N4O3S/c24-19(14-3-1-2-13(8-14)18-20-5-6-21-18)23-16-4-7-25-10-17(16)26-9-15-11-27-12-22-15/h1-3,5-6,8,11-12,16-17H,4,7,9-10H2,(H,20,21)(H,23,24)/t16-,17-/m0/s1
InChIKeyFVAFBTQKFRGBIO-IRXDYDNUSA-N
MW384.46 g/mol
LogP2.64
Rot. Bonds6

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

3-(1H-imidazol-2-yl)-N-[(3R,4S)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide (PubChem CID 164637447) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-N-[(3R,4S)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-N-[(3R,4S)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide
PubChem CID164637447
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name3-(1H-imidazol-2-yl)-N-[(3R,4S)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide
SMILESO=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)c1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C19H20N4O3S/c24-19(14-3-1-2-13(8-14)18-20-5-6-21-18)23-16-4-7-25-10-17(16)26-9-15-11-27-12-22-15/h1-3,5-6,8,11-12,16-17H,4,7,9-10H2,(H,20,21)(H,23,24)/t16-,17-/m0/s1
InChIKeyFVAFBTQKFRGBIO-IRXDYDNUSA-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 3-(1H-imidazol-2-yl)-N-[(3R,4S)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide?
The IUPAC name of 3-(1H-imidazol-2-yl)-N-[(3R,4S)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide (CID 164637447) is 3-(1H-imidazol-2-yl)-N-[(3R,4S)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-N-[(3R,4S)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide?
The canonical SMILES for 3-(1H-imidazol-2-yl)-N-[(3R,4S)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide is O=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)c1cccc(-c2ncc[nH]2)c1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-N-[(3R,4S)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide?
The InChIKey is FVAFBTQKFRGBIO-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H20N4O3S/c24-19(14-3-1-2-13(8-14)18-20-5-6-21-18)23-16-4-7-25-10-17(16)26-9-15-11-27-12-22-15/h1-3,5-6,8,11-12,16-17H,4,7,9-10H2,(H,20,21)(H,23,24)/t16-,17-/m0/s1.
What are the key properties of 3-(1H-imidazol-2-yl)-N-[(3R,4S)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide?
3-(1H-imidazol-2-yl)-N-[(3R,4S)-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 3-(1H-imidazol-2-yl)-N-[(3R,4S)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide is sourced from PubChem (CID 164637447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).