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

C19H27N5O4 — CID 164879612

IUPAC[(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-amino-3-methylbutanoate
SMILESCc1cc(CC(=O)Nc2cc([C@@H]3CC[C@H](OC(=O)[C@@H](N)C(C)C)C3)[nH]n2)on1
InChIInChI=1S/C19H27N5O4/c1-10(2)18(20)19(26)27-13-5-4-12(7-13)15-9-16(23-22-15)21-17(25)8-14-6-11(3)24-28-14/h6,9-10,12-13,18H,4-5,7-8,20H2,1-3H3,(H2,21,22,23,25)/t12-,13+,18+/m1/s1
InChIKeyBCCDMZXAUBRNPF-VBHSOAQHSA-N
MW389.46 g/mol
LogP2.05
Rot. Bonds7

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

[(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-amino-3-methylbutanoate (PubChem CID 164879612) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is [(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-amino-3-methylbutanoate.

Molecular Properties

Compound Name[(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-amino-3-methylbutanoate
PubChem CID164879612
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Name[(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-amino-3-methylbutanoate
SMILESCc1cc(CC(=O)Nc2cc([C@@H]3CC[C@H](OC(=O)[C@@H](N)C(C)C)C3)[nH]n2)on1
InChIInChI=1S/C19H27N5O4/c1-10(2)18(20)19(26)27-13-5-4-12(7-13)15-9-16(23-22-15)21-17(25)8-14-6-11(3)24-28-14/h6,9-10,12-13,18H,4-5,7-8,20H2,1-3H3,(H2,21,22,23,25)/t12-,13+,18+/m1/s1
InChIKeyBCCDMZXAUBRNPF-VBHSOAQHSA-N
XLogP2.05
TPSA136.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-amino-3-methylbutanoate with MolForge

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Related Compounds

[4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclohexyl] carbamate
CID 175516829
[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
[(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
[(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
2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(5-propan-2-yl-1H-pyrazol-4-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide
CID 164879643
[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylpiperidine-1-carboxylate
CID 154616495
2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-(2-propan-2-ylphenoxy)cyclopentyl]-1H-pyrazol-3-yl]acetamide
CID 171719126
[(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
2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(4-prop-1-en-2-yl-1,2-thiazol-3-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide
CID 171719186
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
[2-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopropyl] N-propan-2-ylcarbamate
CID 164880134

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-amino-3-methylbutanoate?
The IUPAC name of [(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) is [(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-amino-3-methylbutanoate.
What is the SMILES notation for [(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-amino-3-methylbutanoate?
The canonical SMILES for [(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-amino-3-methylbutanoate is Cc1cc(CC(=O)Nc2cc([C@@H]3CC[C@H](OC(=O)[C@@H](N)C(C)C)C3)[nH]n2)on1.
What is the InChIKey of [(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-amino-3-methylbutanoate?
The InChIKey is BCCDMZXAUBRNPF-VBHSOAQHSA-N. The full InChI is InChI=1S/C19H27N5O4/c1-10(2)18(20)19(26)27-13-5-4-12(7-13)15-9-16(23-22-15)21-17(25)8-14-6-11(3)24-28-14/h6,9-10,12-13,18H,4-5,7-8,20H2,1-3H3,(H2,21,22,23,25)/t12-,13+,18+/m1/s1.
What are the key properties of [(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-amino-3-methylbutanoate?
[(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-amino-3-methylbutanoate has a molecular weight of 389.46 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-amino-3-methylbutanoate is sourced from PubChem (CID 164879612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).