[(1S,3R)-3-[2-[[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

C18H26N4O4S — CID 164879569

IUPAC[(1S,3R)-3-[2-[[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCc1cc(CC(O)Nc2ncc([C@@H]3CC[C@H](OC(=O)NC(C)C)C3)s2)on1
InChIInChI=1S/C18H26N4O4S/c1-10(2)20-18(24)25-13-5-4-12(7-13)15-9-19-17(27-15)21-16(23)8-14-6-11(3)22-26-14/h6,9-10,12-13,16,23H,4-5,7-8H2,1-3H3,(H,19,21)(H,20,24)/t12-,13+,16?/m1/s1
InChIKeyGQYHPUZYOCQNSL-IMSGDLLMSA-N
MW394.50 g/mol
LogP3.18
Rot. Bonds7

About [(1S,3R)-3-[2-[[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

[(1S,3R)-3-[2-[[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 164879569) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is [(1S,3R)-3-[2-[[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1S,3R)-3-[2-[[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
PubChem CID164879569
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name[(1S,3R)-3-[2-[[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCc1cc(CC(O)Nc2ncc([C@@H]3CC[C@H](OC(=O)NC(C)C)C3)s2)on1
InChIInChI=1S/C18H26N4O4S/c1-10(2)20-18(24)25-13-5-4-12(7-13)15-9-19-17(27-15)21-16(23)8-14-6-11(3)22-26-14/h6,9-10,12-13,16,23H,4-5,7-8H2,1-3H3,(H,19,21)(H,20,24)/t12-,13+,16?/m1/s1
InChIKeyGQYHPUZYOCQNSL-IMSGDLLMSA-N
XLogP3.18
TPSA109.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[2-[[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [(1S,3R)-3-[2-[[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 164879569) is [(1S,3R)-3-[2-[[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(1S,3R)-3-[2-[[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(1S,3R)-3-[2-[[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is Cc1cc(CC(O)Nc2ncc([C@@H]3CC[C@H](OC(=O)NC(C)C)C3)s2)on1.
What is the InChIKey of [(1S,3R)-3-[2-[[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is GQYHPUZYOCQNSL-IMSGDLLMSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-10(2)20-18(24)25-13-5-4-12(7-13)15-9-19-17(27-15)21-16(23)8-14-6-11(3)22-26-14/h6,9-10,12-13,16,23H,4-5,7-8H2,1-3H3,(H,19,21)(H,20,24)/t12-,13+,16?/m1/s1.
What are the key properties of [(1S,3R)-3-[2-[[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
[(1S,3R)-3-[2-[[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 394.50 g/mol, XLogP of 3.18, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[2-[[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 164879569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).