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

C20H27N5O4 — CID 154616602

IUPAC[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(1S)-1-cyclopropylethyl]carbamate
SMILESCc1cc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)N[C@@H](C)C4CC4)C3)[nH]n2)on1
InChIInChI=1S/C20H27N5O4/c1-11-7-16(29-25-11)9-19(26)22-18-10-17(23-24-18)14-5-6-15(8-14)28-20(27)21-12(2)13-3-4-13/h7,10,12-15H,3-6,8-9H2,1-2H3,(H,21,27)(H2,22,23,24,26)/t12-,14-,15+/m0/s1
InChIKeyUHKHJMJXBIRNMW-AEGPPILISA-N
MW401.47 g/mol
LogP3.05
Rot. Bonds7

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

[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(1S)-1-cyclopropylethyl]carbamate (PubChem CID 154616602) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(1S)-1-cyclopropylethyl]carbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(1S)-1-cyclopropylethyl]carbamate
PubChem CID154616602
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Name[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(1S)-1-cyclopropylethyl]carbamate
SMILESCc1cc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)N[C@@H](C)C4CC4)C3)[nH]n2)on1
InChIInChI=1S/C20H27N5O4/c1-11-7-16(29-25-11)9-19(26)22-18-10-17(23-24-18)14-5-6-15(8-14)28-20(27)21-12(2)13-3-4-13/h7,10,12-15H,3-6,8-9H2,1-2H3,(H,21,27)(H2,22,23,24,26)/t12-,14-,15+/m0/s1
InChIKeyUHKHJMJXBIRNMW-AEGPPILISA-N
XLogP3.05
TPSA122.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.05
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-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(1S)-1-cyclopropylethyl]carbamate?
The IUPAC name of [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(1S)-1-cyclopropylethyl]carbamate (CID 154616602) is [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(1S)-1-cyclopropylethyl]carbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(1S)-1-cyclopropylethyl]carbamate?
The canonical SMILES for [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(1S)-1-cyclopropylethyl]carbamate is Cc1cc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)N[C@@H](C)C4CC4)C3)[nH]n2)on1.
What is the InChIKey of [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(1S)-1-cyclopropylethyl]carbamate?
The InChIKey is UHKHJMJXBIRNMW-AEGPPILISA-N. The full InChI is InChI=1S/C20H27N5O4/c1-11-7-16(29-25-11)9-19(26)22-18-10-17(23-24-18)14-5-6-15(8-14)28-20(27)21-12(2)13-3-4-13/h7,10,12-15H,3-6,8-9H2,1-2H3,(H,21,27)(H2,22,23,24,26)/t12-,14-,15+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(1S)-1-cyclopropylethyl]carbamate?
[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(1S)-1-cyclopropylethyl]carbamate has a molecular weight of 401.47 g/mol, XLogP of 3.05, 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-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(1S)-1-cyclopropylethyl]carbamate is sourced from PubChem (CID 154616602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).