[(1S,2R,4R)-2-fluoro-4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C19H24FN5O4 — CID 169143596

IUPAC[(1S,2R,4R)-2-fluoro-4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCc1cc(CC(=O)Nc2cc([C@H]3C[C@@H](F)[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)on1
InChIInChI=1S/C19H24FN5O4/c1-10-5-12(29-25-10)8-17(26)21-16-9-14(23-24-16)11-6-13(20)15(7-11)28-18(27)22-19(2)3-4-19/h5,9,11,13,15H,3-4,6-8H2,1-2H3,(H,22,27)(H2,21,23,24,26)/t11-,13+,15-/m0/s1
InChIKeySOCSUOUEFWOSPO-LNSITVRQSA-N
MW405.43 g/mol
LogP2.75
Rot. Bonds6

About [(1S,2R,4R)-2-fluoro-4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1S,2R,4R)-2-fluoro-4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169143596) has the molecular formula C19H24FN5O4 and a molecular weight of 405.43 g/mol. Its IUPAC name is [(1S,2R,4R)-2-fluoro-4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(1S,2R,4R)-2-fluoro-4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID169143596
Molecular FormulaC19H24FN5O4
Molecular Weight405.43 g/mol
Exact Mass405.18
IUPAC Name[(1S,2R,4R)-2-fluoro-4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCc1cc(CC(=O)Nc2cc([C@H]3C[C@@H](F)[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)on1
InChIInChI=1S/C19H24FN5O4/c1-10-5-12(29-25-10)8-17(26)21-16-9-14(23-24-16)11-6-13(20)15(7-11)28-18(27)22-19(2)3-4-19/h5,9,11,13,15H,3-4,6-8H2,1-2H3,(H,22,27)(H2,21,23,24,26)/t11-,13+,15-/m0/s1
InChIKeySOCSUOUEFWOSPO-LNSITVRQSA-N
XLogP2.75
TPSA122.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(1S,2R,4R)-2-fluoro-4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4R)-2-fluoro-4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(1S,2R,4R)-2-fluoro-4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 169143596) is [(1S,2R,4R)-2-fluoro-4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(1S,2R,4R)-2-fluoro-4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(1S,2R,4R)-2-fluoro-4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is Cc1cc(CC(=O)Nc2cc([C@H]3C[C@@H](F)[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)on1.
What is the InChIKey of [(1S,2R,4R)-2-fluoro-4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is SOCSUOUEFWOSPO-LNSITVRQSA-N. The full InChI is InChI=1S/C19H24FN5O4/c1-10-5-12(29-25-10)8-17(26)21-16-9-14(23-24-16)11-6-13(20)15(7-11)28-18(27)22-19(2)3-4-19/h5,9,11,13,15H,3-4,6-8H2,1-2H3,(H,22,27)(H2,21,23,24,26)/t11-,13+,15-/m0/s1.
What are the key properties of [(1S,2R,4R)-2-fluoro-4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
[(1S,2R,4R)-2-fluoro-4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 405.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4R)-2-fluoro-4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169143596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).