[(1R,3S)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-cyclobutylcarbamate

C18H23N5O4 — CID 154616412

IUPAC[(1R,3S)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-cyclobutylcarbamate
SMILESO=C(Cc1ccno1)Nc1cc([C@H]2CC[C@@H](OC(=O)NC3CCC3)C2)[nH]n1
InChIInChI=1S/C18H23N5O4/c24-17(9-14-6-7-19-27-14)21-16-10-15(22-23-16)11-4-5-13(8-11)26-18(25)20-12-2-1-3-12/h6-7,10-13H,1-5,8-9H2,(H,20,25)(H2,21,22,23,24)/t11-,13+/m0/s1
InChIKeyCETMEFCIYKLEDY-WCQYABFASA-N
MW373.41 g/mol
LogP2.49
Rot. Bonds6

About [(1R,3S)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-cyclobutylcarbamate

[(1R,3S)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-cyclobutylcarbamate (PubChem CID 154616412) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-cyclobutylcarbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-cyclobutylcarbamate
PubChem CID154616412
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Name[(1R,3S)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-cyclobutylcarbamate
SMILESO=C(Cc1ccno1)Nc1cc([C@H]2CC[C@@H](OC(=O)NC3CCC3)C2)[nH]n1
InChIInChI=1S/C18H23N5O4/c24-17(9-14-6-7-19-27-14)21-16-10-15(22-23-16)11-4-5-13(8-11)26-18(25)20-12-2-1-3-12/h6-7,10-13H,1-5,8-9H2,(H,20,25)(H2,21,22,23,24)/t11-,13+/m0/s1
InChIKeyCETMEFCIYKLEDY-WCQYABFASA-N
XLogP2.49
TPSA122.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl N-[(1S,3R)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 169079607
[(1S,3R)-3-[3-[(2-phenylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(4-hydroxy-4-methylcyclohexyl)carbamate
CID 154616531
[3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 167143152
[(1R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 167144088
[3-[3-[[2-(3-fluoro-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
CID 155025584
[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylpiperidine-1-carboxylate
CID 154616495
[(1R,3S)-3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-cyclobutylcarbamate
CID 168894960
[3-[3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
CID 155025358
[(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-amino-3-methylbutanoate
CID 164879612
[(1R,3S)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(7R)-5-oxaspiro[3.4]octan-7-yl]carbamate
CID 170070950
[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S,3S)-2,3-dimethylazetidine-1-carboxylate
CID 170082112
[(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2-methylbutyl)carbamate
CID 155025552

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-cyclobutylcarbamate?
The IUPAC name of [(1R,3S)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-cyclobutylcarbamate (CID 154616412) is [(1R,3S)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-cyclobutylcarbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-cyclobutylcarbamate?
The canonical SMILES for [(1R,3S)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-cyclobutylcarbamate is O=C(Cc1ccno1)Nc1cc([C@H]2CC[C@@H](OC(=O)NC3CCC3)C2)[nH]n1.
What is the InChIKey of [(1R,3S)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-cyclobutylcarbamate?
The InChIKey is CETMEFCIYKLEDY-WCQYABFASA-N. The full InChI is InChI=1S/C18H23N5O4/c24-17(9-14-6-7-19-27-14)21-16-10-15(22-23-16)11-4-5-13(8-11)26-18(25)20-12-2-1-3-12/h6-7,10-13H,1-5,8-9H2,(H,20,25)(H2,21,22,23,24)/t11-,13+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-cyclobutylcarbamate?
[(1R,3S)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-cyclobutylcarbamate has a molecular weight of 373.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-cyclobutylcarbamate is sourced from PubChem (CID 154616412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).