[2-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopropyl] N-propan-2-ylcarbamate

C16H21N5O4 — CID 164880134

IUPAC[2-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopropyl] N-propan-2-ylcarbamate
SMILESCc1cc(CC(=O)Nc2cc(C3CC3OC(=O)NC(C)C)[nH]n2)on1
InChIInChI=1S/C16H21N5O4/c1-8(2)17-16(23)24-13-6-11(13)12-7-14(20-19-12)18-15(22)5-10-4-9(3)21-25-10/h4,7-8,11,13H,5-6H2,1-3H3,(H,17,23)(H2,18,19,20,22)
InChIKeyRSAHAFLXVXVTML-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.88
Rot. Bonds6

About [2-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopropyl] N-propan-2-ylcarbamate

[2-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopropyl] N-propan-2-ylcarbamate (PubChem CID 164880134) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is [2-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopropyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[2-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopropyl] N-propan-2-ylcarbamate
PubChem CID164880134
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Name[2-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopropyl] N-propan-2-ylcarbamate
SMILESCc1cc(CC(=O)Nc2cc(C3CC3OC(=O)NC(C)C)[nH]n2)on1
InChIInChI=1S/C16H21N5O4/c1-8(2)17-16(23)24-13-6-11(13)12-7-14(20-19-12)18-15(22)5-10-4-9(3)21-25-10/h4,7-8,11,13H,5-6H2,1-3H3,(H,17,23)(H2,18,19,20,22)
InChIKeyRSAHAFLXVXVTML-UHFFFAOYSA-N
XLogP1.88
TPSA122.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[(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
[(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
[4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclohexyl] carbamate
CID 175516829
N-[5-[3-(methylamino)cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-propan-2-ylformamide
CID 164879553
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
[(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
[(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
[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)-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
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

Frequently Asked Questions

What is the IUPAC name of [2-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopropyl] N-propan-2-ylcarbamate?
The IUPAC name of [2-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopropyl] N-propan-2-ylcarbamate (CID 164880134) is [2-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopropyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [2-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopropyl] N-propan-2-ylcarbamate?
The canonical SMILES for [2-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopropyl] N-propan-2-ylcarbamate is Cc1cc(CC(=O)Nc2cc(C3CC3OC(=O)NC(C)C)[nH]n2)on1.
What is the InChIKey of [2-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopropyl] N-propan-2-ylcarbamate?
The InChIKey is RSAHAFLXVXVTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-8(2)17-16(23)24-13-6-11(13)12-7-14(20-19-12)18-15(22)5-10-4-9(3)21-25-10/h4,7-8,11,13H,5-6H2,1-3H3,(H,17,23)(H2,18,19,20,22).
What are the key properties of [2-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopropyl] N-propan-2-ylcarbamate?
[2-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopropyl] N-propan-2-ylcarbamate has a molecular weight of 347.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopropyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 164880134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).