5-phenyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrazolidine-3-carboxamide

C19H24N4O3S — CID 133260614

IUPAC5-phenyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrazolidine-3-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)C1CC(c2ccccc2)NN1
InChIInChI=1S/C19H24N4O3S/c24-19(17-8-16(22-23-17)13-4-2-1-3-5-13)21-15-6-7-25-10-18(15)26-9-14-11-27-12-20-14/h1-5,11-12,15-18,22-23H,6-10H2,(H,21,24)/t15-,16?,17?,18-/m1/s1
InChIKeyLRIUTOWVCLDMBU-AQEOSJORSA-N
MW388.49 g/mol
LogP1.54
Rot. Bonds6

About 5-phenyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrazolidine-3-carboxamide

5-phenyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrazolidine-3-carboxamide (PubChem CID 133260614) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 5-phenyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrazolidine-3-carboxamide
PubChem CID133260614
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name5-phenyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrazolidine-3-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)C1CC(c2ccccc2)NN1
InChIInChI=1S/C19H24N4O3S/c24-19(17-8-16(22-23-17)13-4-2-1-3-5-13)21-15-6-7-25-10-18(15)26-9-14-11-27-12-20-14/h1-5,11-12,15-18,22-23H,6-10H2,(H,21,24)/t15-,16?,17?,18-/m1/s1
InChIKeyLRIUTOWVCLDMBU-AQEOSJORSA-N
XLogP1.54
TPSA84.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-phenyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrazolidine-3-carboxamide (CID 133260614) is 5-phenyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-phenyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrazolidine-3-carboxamide is O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)C1CC(c2ccccc2)NN1.
What is the InChIKey of 5-phenyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrazolidine-3-carboxamide?
The InChIKey is LRIUTOWVCLDMBU-AQEOSJORSA-N. The full InChI is InChI=1S/C19H24N4O3S/c24-19(17-8-16(22-23-17)13-4-2-1-3-5-13)21-15-6-7-25-10-18(15)26-9-14-11-27-12-20-14/h1-5,11-12,15-18,22-23H,6-10H2,(H,21,24)/t15-,16?,17?,18-/m1/s1.
What are the key properties of 5-phenyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrazolidine-3-carboxamide?
5-phenyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrazolidine-3-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 133260614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).