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

C17H23N5O4 — CID 169079607

IUPACpropan-2-yl N-[(1S,3R)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
SMILESCC(C)OC(=O)N[C@H]1CC[C@@H](c2cc(NC(=O)Cc3ccno3)n[nH]2)C1
InChIInChI=1S/C17H23N5O4/c1-10(2)25-17(24)19-12-4-3-11(7-12)14-9-15(22-21-14)20-16(23)8-13-5-6-18-26-13/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,19,24)(H2,20,21,22,23)/t11-,12+/m1/s1
InChIKeyKUGLPRKKTKLKKR-NEPJUHHUSA-N
MW361.40 g/mol
LogP2.35
Rot. Bonds6

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

propan-2-yl N-[(1S,3R)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate (PubChem CID 169079607) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is propan-2-yl N-[(1S,3R)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(1S,3R)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
PubChem CID169079607
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC Namepropan-2-yl N-[(1S,3R)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
SMILESCC(C)OC(=O)N[C@H]1CC[C@@H](c2cc(NC(=O)Cc3ccno3)n[nH]2)C1
InChIInChI=1S/C17H23N5O4/c1-10(2)25-17(24)19-12-4-3-11(7-12)14-9-15(22-21-14)20-16(23)8-13-5-6-18-26-13/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,19,24)(H2,20,21,22,23)/t11-,12+/m1/s1
InChIKeyKUGLPRKKTKLKKR-NEPJUHHUSA-N
XLogP2.35
TPSA122.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R,3S)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-cyclobutylcarbamate
CID 154616412
propan-2-yl N-[3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 164518716
propan-2-yl N-[(1R,3S)-3-[3-[[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 169079594
propan-2-yl N-[(1R,3S)-3-[3-[[2-(1,3-benzothiazol-7-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 169079578
ethyl N-[(1R,3S)-3-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 169079582
N-[(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]benzamide
CID 164879657
butan-2-yl N-[3-[3-[[2-(6-methoxypyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 169013946
N-[5-[(1S,3R)-3-[(1-methylcyclopropyl)carbamoylamino]cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 164879508
propan-2-yl N-[3-[3-[4-(deuteriomethylsulfonyl)-2-fluoroanilino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 168878404
propan-2-yl N-[3-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 164879515
N-[5-[3-(methylamino)cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-propan-2-ylformamide
CID 164879553
propyl N-[(1S,3R)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 169079558

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(1S,3R)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate?
The IUPAC name of propan-2-yl N-[(1S,3R)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate (CID 169079607) is propan-2-yl N-[(1S,3R)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(1S,3R)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate?
The canonical SMILES for propan-2-yl N-[(1S,3R)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate is CC(C)OC(=O)N[C@H]1CC[C@@H](c2cc(NC(=O)Cc3ccno3)n[nH]2)C1.
What is the InChIKey of propan-2-yl N-[(1S,3R)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate?
The InChIKey is KUGLPRKKTKLKKR-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H23N5O4/c1-10(2)25-17(24)19-12-4-3-11(7-12)14-9-15(22-21-14)20-16(23)8-13-5-6-18-26-13/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,19,24)(H2,20,21,22,23)/t11-,12+/m1/s1.
What are the key properties of propan-2-yl N-[(1S,3R)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate?
propan-2-yl N-[(1S,3R)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate has a molecular weight of 361.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(1S,3R)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate is sourced from PubChem (CID 169079607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).