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

C19H22F3N5O4 — CID 155040880

IUPAC[(1R,3S)-3-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate
SMILESO=C(Cc1ccon1)Nc1cc([C@H]2CC[C@@H](OC(=O)NC3(CC(F)(F)F)CC3)C2)[nH]n1
InChIInChI=1S/C19H22F3N5O4/c20-19(21,22)10-18(4-5-18)24-17(29)31-13-2-1-11(7-13)14-9-15(26-25-14)23-16(28)8-12-3-6-30-27-12/h3,6,9,11,13H,1-2,4-5,7-8,10H2,(H,24,29)(H2,23,25,26,28)/t11-,13+/m0/s1
InChIKeyOJSZOMOSOPNDIG-WCQYABFASA-N
MW441.41 g/mol
LogP3.43
Rot. Bonds7

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

[(1R,3S)-3-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate (PubChem CID 155040880) has the molecular formula C19H22F3N5O4 and a molecular weight of 441.41 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate
PubChem CID155040880
Molecular FormulaC19H22F3N5O4
Molecular Weight441.41 g/mol
Exact Mass441.16
IUPAC Name[(1R,3S)-3-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate
SMILESO=C(Cc1ccon1)Nc1cc([C@H]2CC[C@@H](OC(=O)NC3(CC(F)(F)F)CC3)C2)[nH]n1
InChIInChI=1S/C19H22F3N5O4/c20-19(21,22)10-18(4-5-18)24-17(29)31-13-2-1-11(7-13)14-9-15(26-25-14)23-16(28)8-12-3-6-30-27-12/h3,6,9,11,13H,1-2,4-5,7-8,10H2,(H,24,29)(H2,23,25,26,28)/t11-,13+/m0/s1
InChIKeyOJSZOMOSOPNDIG-WCQYABFASA-N
XLogP3.43
TPSA122.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate?
The IUPAC name of [(1R,3S)-3-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate (CID 155040880) is [(1R,3S)-3-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate?
The canonical SMILES for [(1R,3S)-3-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate is O=C(Cc1ccon1)Nc1cc([C@H]2CC[C@@H](OC(=O)NC3(CC(F)(F)F)CC3)C2)[nH]n1.
What is the InChIKey of [(1R,3S)-3-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate?
The InChIKey is OJSZOMOSOPNDIG-WCQYABFASA-N. The full InChI is InChI=1S/C19H22F3N5O4/c20-19(21,22)10-18(4-5-18)24-17(29)31-13-2-1-11(7-13)14-9-15(26-25-14)23-16(28)8-12-3-6-30-27-12/h3,6,9,11,13H,1-2,4-5,7-8,10H2,(H,24,29)(H2,23,25,26,28)/t11-,13+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate?
[(1R,3S)-3-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate has a molecular weight of 441.41 g/mol, XLogP of 3.43, 7 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-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate is sourced from PubChem (CID 155040880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).