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

C15H22N2O3S — CID 91761171

IUPACN-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]cyclopentanecarboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)C1CCCC1
InChIInChI=1S/C15H22N2O3S/c18-15(11-3-1-2-4-11)17-13-5-6-19-8-14(13)20-7-12-9-21-10-16-12/h9-11,13-14H,1-8H2,(H,17,18)/t13-,14-/m1/s1
InChIKeyZETVKVZXQNYYLX-ZIAGYGMSSA-N
MW310.42 g/mol
LogP2.12
Rot. Bonds5

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

N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]cyclopentanecarboxamide (PubChem CID 91761171) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]cyclopentanecarboxamide
PubChem CID91761171
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]cyclopentanecarboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)C1CCCC1
InChIInChI=1S/C15H22N2O3S/c18-15(11-3-1-2-4-11)17-13-5-6-19-8-14(13)20-7-12-9-21-10-16-12/h9-11,13-14H,1-8H2,(H,17,18)/t13-,14-/m1/s1
InChIKeyZETVKVZXQNYYLX-ZIAGYGMSSA-N
XLogP2.12
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]cyclopentanecarboxamide (CID 91761171) is N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]cyclopentanecarboxamide is O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)C1CCCC1.
What is the InChIKey of N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]cyclopentanecarboxamide?
The InChIKey is ZETVKVZXQNYYLX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-15(11-3-1-2-4-11)17-13-5-6-19-8-14(13)20-7-12-9-21-10-16-12/h9-11,13-14H,1-8H2,(H,17,18)/t13-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]cyclopentanecarboxamide?
N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]cyclopentanecarboxamide has a molecular weight of 310.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 91761171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).