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

C18H25N5O4 — CID 154616405

IUPAC[(1S,3R)-3-[3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCc1cc(CC(=O)Nc2cc([C@@H]3CC[C@H](OC(=O)NC(C)C)C3)[nH]n2)no1
InChIInChI=1S/C18H25N5O4/c1-10(2)19-18(25)26-14-5-4-12(7-14)15-9-16(22-21-15)20-17(24)8-13-6-11(3)27-23-13/h6,9-10,12,14H,4-5,7-8H2,1-3H3,(H,19,25)(H2,20,21,22,24)/t12-,14+/m1/s1
InChIKeyVWDFSSRBEPENHL-OCCSQVGLSA-N
MW375.43 g/mol
LogP2.66
Rot. Bonds6

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

[(1S,3R)-3-[3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 154616405) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is [(1S,3R)-3-[3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1S,3R)-3-[3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
PubChem CID154616405
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC Name[(1S,3R)-3-[3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCc1cc(CC(=O)Nc2cc([C@@H]3CC[C@H](OC(=O)NC(C)C)C3)[nH]n2)no1
InChIInChI=1S/C18H25N5O4/c1-10(2)19-18(25)26-14-5-4-12(7-14)15-9-16(22-21-15)20-17(24)8-13-6-11(3)27-23-13/h6,9-10,12,14H,4-5,7-8H2,1-3H3,(H,19,25)(H2,20,21,22,24)/t12-,14+/m1/s1
InChIKeyVWDFSSRBEPENHL-OCCSQVGLSA-N
XLogP2.66
TPSA122.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [(1S,3R)-3-[3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 154616405) is [(1S,3R)-3-[3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(1S,3R)-3-[3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(1S,3R)-3-[3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is Cc1cc(CC(=O)Nc2cc([C@@H]3CC[C@H](OC(=O)NC(C)C)C3)[nH]n2)no1.
What is the InChIKey of [(1S,3R)-3-[3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is VWDFSSRBEPENHL-OCCSQVGLSA-N. The full InChI is InChI=1S/C18H25N5O4/c1-10(2)19-18(25)26-14-5-4-12(7-14)15-9-16(22-21-15)20-17(24)8-13-6-11(3)27-23-13/h6,9-10,12,14H,4-5,7-8H2,1-3H3,(H,19,25)(H2,20,21,22,24)/t12-,14+/m1/s1.
What are the key properties of [(1S,3R)-3-[3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
[(1S,3R)-3-[3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 375.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 154616405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).