N-[5-[(1S,3R)-3-[(1-methylcyclopropyl)carbamoylamino]cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

C19H26N6O3 — CID 164879508

IUPACN-[5-[(1S,3R)-3-[(1-methylcyclopropyl)carbamoylamino]cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)Nc2cc([C@H]3CC[C@@H](NC(=O)NC4(C)CC4)C3)[nH]n2)on1
InChIInChI=1S/C19H26N6O3/c1-11-7-14(28-25-11)9-17(26)21-16-10-15(23-24-16)12-3-4-13(8-12)20-18(27)22-19(2)5-6-19/h7,10,12-13H,3-6,8-9H2,1-2H3,(H2,20,22,27)(H2,21,23,24,26)/t12-,13+/m0/s1
InChIKeyUIQXEVVFKYYESC-QWHCGFSZSA-N
MW386.46 g/mol
LogP2.38
Rot. Bonds6

About N-[5-[(1S,3R)-3-[(1-methylcyclopropyl)carbamoylamino]cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

N-[5-[(1S,3R)-3-[(1-methylcyclopropyl)carbamoylamino]cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 164879508) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[5-[(1S,3R)-3-[(1-methylcyclopropyl)carbamoylamino]cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(1S,3R)-3-[(1-methylcyclopropyl)carbamoylamino]cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID164879508
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC NameN-[5-[(1S,3R)-3-[(1-methylcyclopropyl)carbamoylamino]cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)Nc2cc([C@H]3CC[C@@H](NC(=O)NC4(C)CC4)C3)[nH]n2)on1
InChIInChI=1S/C19H26N6O3/c1-11-7-14(28-25-11)9-17(26)21-16-10-15(23-24-16)12-3-4-13(8-12)20-18(27)22-19(2)5-6-19/h7,10,12-13H,3-6,8-9H2,1-2H3,(H2,20,22,27)(H2,21,23,24,26)/t12-,13+/m0/s1
InChIKeyUIQXEVVFKYYESC-QWHCGFSZSA-N
XLogP2.38
TPSA124.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]benzamide
CID 164879657
N-[5-[3-(methylamino)cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-propan-2-ylformamide
CID 164879553
[(1S,4R)-4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cycloheptyl] N-(1-methylcyclopropyl)carbamate
CID 164879606
[(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
[3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 167143152
N-[5-[3-(4,4-dimethyl-2-oxoimidazolidin-1-yl)cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 170451268
[(1R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 167144088
[(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-amino-3-methylbutanoate
CID 164879612
2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3R)-3-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propan-2-ylcyclopentyl]-1H-pyrazol-3-yl]acetamide
CID 171719232
[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] 2-ethyl-2-methylazetidine-1-carboxylate
CID 154616568
[4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclohexyl] carbamate
CID 175516829
[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S,3S)-2,3-dimethylazetidine-1-carboxylate
CID 170082112

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S,3R)-3-[(1-methylcyclopropyl)carbamoylamino]cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-[5-[(1S,3R)-3-[(1-methylcyclopropyl)carbamoylamino]cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 164879508) is N-[5-[(1S,3R)-3-[(1-methylcyclopropyl)carbamoylamino]cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[5-[(1S,3R)-3-[(1-methylcyclopropyl)carbamoylamino]cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-[5-[(1S,3R)-3-[(1-methylcyclopropyl)carbamoylamino]cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(CC(=O)Nc2cc([C@H]3CC[C@@H](NC(=O)NC4(C)CC4)C3)[nH]n2)on1.
What is the InChIKey of N-[5-[(1S,3R)-3-[(1-methylcyclopropyl)carbamoylamino]cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is UIQXEVVFKYYESC-QWHCGFSZSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-11-7-14(28-25-11)9-17(26)21-16-10-15(23-24-16)12-3-4-13(8-12)20-18(27)22-19(2)5-6-19/h7,10,12-13H,3-6,8-9H2,1-2H3,(H2,20,22,27)(H2,21,23,24,26)/t12-,13+/m0/s1.
What are the key properties of N-[5-[(1S,3R)-3-[(1-methylcyclopropyl)carbamoylamino]cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
N-[5-[(1S,3R)-3-[(1-methylcyclopropyl)carbamoylamino]cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 386.46 g/mol, XLogP of 2.38, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1S,3R)-3-[(1-methylcyclopropyl)carbamoylamino]cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 164879508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).