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

C18H24N4O4S — CID 164880053

IUPAC[(1R,3S)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]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/C18H24N4O4S/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/h6,9-10,12-13H,4-5,7-8H2,1-3H3,(H,20,24)(H,19,21,23)/t12-,13+/m0/s1
InChIKeyJPOPZNOAFGDILF-QWHCGFSZSA-N
MW392.48 g/mol
LogP3.39
Rot. Bonds6

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

[(1R,3S)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 164880053) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is [(1R,3S)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
PubChem CID164880053
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name[(1R,3S)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]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/C18H24N4O4S/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/h6,9-10,12-13H,4-5,7-8H2,1-3H3,(H,20,24)(H,19,21,23)/t12-,13+/m0/s1
InChIKeyJPOPZNOAFGDILF-QWHCGFSZSA-N
XLogP3.39
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [(1R,3S)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 164880053) is [(1R,3S)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(1R,3S)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(1R,3S)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]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 [(1R,3S)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is JPOPZNOAFGDILF-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H24N4O4S/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/h6,9-10,12-13H,4-5,7-8H2,1-3H3,(H,20,24)(H,19,21,23)/t12-,13+/m0/s1.
What are the key properties of [(1R,3S)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
[(1R,3S)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 392.48 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 164880053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).