1-(3-methyl-1,2-oxazol-5-yl)-3-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]urea

C13H17N5O2 — CID 154845601

IUPAC1-(3-methyl-1,2-oxazol-5-yl)-3-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]urea
SMILESCc1cc(NC(=O)N[C@@H]2CCC[C@@H]2n2cccn2)on1
InChIInChI=1S/C13H17N5O2/c1-9-8-12(20-17-9)16-13(19)15-10-4-2-5-11(10)18-7-3-6-14-18/h3,6-8,10-11H,2,4-5H2,1H3,(H2,15,16,19)/t10-,11+/m1/s1
InChIKeyRAMOMJGQEFBUBG-MNOVXSKESA-N
MW275.31 g/mol
LogP2.09
Rot. Bonds3

About 1-(3-methyl-1,2-oxazol-5-yl)-3-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]urea

1-(3-methyl-1,2-oxazol-5-yl)-3-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]urea (PubChem CID 154845601) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(3-methyl-1,2-oxazol-5-yl)-3-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]urea.

Molecular Properties

Compound Name1-(3-methyl-1,2-oxazol-5-yl)-3-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]urea
PubChem CID154845601
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name1-(3-methyl-1,2-oxazol-5-yl)-3-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]urea
SMILESCc1cc(NC(=O)N[C@@H]2CCC[C@@H]2n2cccn2)on1
InChIInChI=1S/C13H17N5O2/c1-9-8-12(20-17-9)16-13(19)15-10-4-2-5-11(10)18-7-3-6-14-18/h3,6-8,10-11H,2,4-5H2,1H3,(H2,15,16,19)/t10-,11+/m1/s1
InChIKeyRAMOMJGQEFBUBG-MNOVXSKESA-N
XLogP2.09
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]-3-(1,2-thiazol-5-yl)urea
CID 154854688
1-(3-acetylphenyl)-3-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]urea
CID 124504703
1-[(3R,4R)-4-fluorooxolan-3-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 166262489
1-[(2R)-2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]urea
CID 129421233
1-(3-methyl-1,2-oxazol-5-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-ylmethyl)urea
CID 154869245
(2S)-N-(2-fluoroethyl)-2-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]carbamoylamino]propanamide
CID 124850298
(1R,5S)-9-hydroxy-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide
CID 124730444
3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide
CID 95968799
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-pyrazol-1-ylcyclohexyl]urea
CID 96566708
3-amino-N-(3-methyl-1,2-oxazol-5-yl)cyclohexane-1-carboxamide
CID 63041784
(3R)-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124776517
1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 167934119

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)-3-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]urea?
The IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)-3-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]urea (CID 154845601) is 1-(3-methyl-1,2-oxazol-5-yl)-3-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]urea.
What is the SMILES notation for 1-(3-methyl-1,2-oxazol-5-yl)-3-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]urea?
The canonical SMILES for 1-(3-methyl-1,2-oxazol-5-yl)-3-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]urea is Cc1cc(NC(=O)N[C@@H]2CCC[C@@H]2n2cccn2)on1.
What is the InChIKey of 1-(3-methyl-1,2-oxazol-5-yl)-3-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]urea?
The InChIKey is RAMOMJGQEFBUBG-MNOVXSKESA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9-8-12(20-17-9)16-13(19)15-10-4-2-5-11(10)18-7-3-6-14-18/h3,6-8,10-11H,2,4-5H2,1H3,(H2,15,16,19)/t10-,11+/m1/s1.
What are the key properties of 1-(3-methyl-1,2-oxazol-5-yl)-3-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]urea?
1-(3-methyl-1,2-oxazol-5-yl)-3-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]urea has a molecular weight of 275.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-oxazol-5-yl)-3-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]urea is sourced from PubChem (CID 154845601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).