[(1R,3S)-3-[3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate

C18H26N6O4 — CID 154616765

IUPAC[(1R,3S)-3-[3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
SMILESCc1nnc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)(C)C)C3)[nH]n2)o1
InChIInChI=1S/C18H26N6O4/c1-10-21-24-16(27-10)9-15(25)19-14-8-13(22-23-14)11-5-6-12(7-11)28-17(26)20-18(2,3)4/h8,11-12H,5-7,9H2,1-4H3,(H,20,26)(H2,19,22,23,25)/t11-,12+/m0/s1
InChIKeyDBYCJDDBQKRKKC-NWDGAFQWSA-N
MW390.44 g/mol
LogP2.44
Rot. Bonds5

About [(1R,3S)-3-[3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate

[(1R,3S)-3-[3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate (PubChem CID 154616765) has the molecular formula C18H26N6O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
PubChem CID154616765
Molecular FormulaC18H26N6O4
Molecular Weight390.44 g/mol
Exact Mass390.20
IUPAC Name[(1R,3S)-3-[3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
SMILESCc1nnc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)(C)C)C3)[nH]n2)o1
InChIInChI=1S/C18H26N6O4/c1-10-21-24-16(27-10)9-15(25)19-14-8-13(22-23-14)11-5-6-12(7-11)28-17(26)20-18(2,3)4/h8,11-12H,5-7,9H2,1-4H3,(H,20,26)(H2,19,22,23,25)/t11-,12+/m0/s1
InChIKeyDBYCJDDBQKRKKC-NWDGAFQWSA-N
XLogP2.44
TPSA135.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate?
The IUPAC name of [(1R,3S)-3-[3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate (CID 154616765) is [(1R,3S)-3-[3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate?
The canonical SMILES for [(1R,3S)-3-[3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate is Cc1nnc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)(C)C)C3)[nH]n2)o1.
What is the InChIKey of [(1R,3S)-3-[3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate?
The InChIKey is DBYCJDDBQKRKKC-NWDGAFQWSA-N. The full InChI is InChI=1S/C18H26N6O4/c1-10-21-24-16(27-10)9-15(25)19-14-8-13(22-23-14)11-5-6-12(7-11)28-17(26)20-18(2,3)4/h8,11-12H,5-7,9H2,1-4H3,(H,20,26)(H2,19,22,23,25)/t11-,12+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate?
[(1R,3S)-3-[3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate has a molecular weight of 390.44 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate is sourced from PubChem (CID 154616765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).