[4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclohexyl] carbamate

C16H21N5O4 — CID 175516829

IUPAC[4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclohexyl] carbamate
SMILESCc1cc(CC(=O)Nc2cc(C3CCC(OC(N)=O)CC3)[nH]n2)on1
InChIInChI=1S/C16H21N5O4/c1-9-6-12(25-21-9)7-15(22)18-14-8-13(19-20-14)10-2-4-11(5-3-10)24-16(17)23/h6,8,10-11H,2-5,7H2,1H3,(H2,17,23)(H2,18,19,20,22)
InChIKeyNKZGZSIOOWBWLL-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.01
Rot. Bonds5

About [4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclohexyl] carbamate

[4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclohexyl] carbamate (PubChem CID 175516829) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is [4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclohexyl] carbamate.

Molecular Properties

Compound Name[4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclohexyl] carbamate
PubChem CID175516829
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Name[4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclohexyl] carbamate
SMILESCc1cc(CC(=O)Nc2cc(C3CCC(OC(N)=O)CC3)[nH]n2)on1
InChIInChI=1S/C16H21N5O4/c1-9-6-12(25-21-9)7-15(22)18-14-8-13(19-20-14)10-2-4-11(5-3-10)24-16(17)23/h6,8,10-11H,2-5,7H2,1H3,(H2,17,23)(H2,18,19,20,22)
InChIKeyNKZGZSIOOWBWLL-UHFFFAOYSA-N
XLogP2.01
TPSA136.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.01
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,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
[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)-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
[(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-[(5-propan-2-yl-1H-pyrazol-4-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide
CID 164879643
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
[2-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopropyl] N-propan-2-ylcarbamate
CID 164880134
N-[(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]benzamide
CID 164879657

Frequently Asked Questions

What is the IUPAC name of [4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclohexyl] carbamate?
The IUPAC name of [4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclohexyl] carbamate (CID 175516829) is [4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclohexyl] carbamate.
What is the SMILES notation for [4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclohexyl] carbamate?
The canonical SMILES for [4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclohexyl] carbamate is Cc1cc(CC(=O)Nc2cc(C3CCC(OC(N)=O)CC3)[nH]n2)on1.
What is the InChIKey of [4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclohexyl] carbamate?
The InChIKey is NKZGZSIOOWBWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-9-6-12(25-21-9)7-15(22)18-14-8-13(19-20-14)10-2-4-11(5-3-10)24-16(17)23/h6,8,10-11H,2-5,7H2,1H3,(H2,17,23)(H2,18,19,20,22).
What are the key properties of [4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclohexyl] carbamate?
[4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclohexyl] carbamate has a molecular weight of 347.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclohexyl] carbamate is sourced from PubChem (CID 175516829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).