1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea

C17H22N4O2 — CID 95326935

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea
SMILESCc1noc(C)c1NC(=O)NC[C@@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C17H22N4O2/c1-12-16(13(2)23-20-12)19-17(22)18-10-14-8-9-21(11-14)15-6-4-3-5-7-15/h3-7,14H,8-11H2,1-2H3,(H2,18,19,22)/t14-/m0/s1
InChIKeyGEPQTWCOXUAOFX-AWEZNQCLSA-N
MW314.39 g/mol
LogP2.94
Rot. Bonds4

About 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea

1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea (PubChem CID 95326935) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea
PubChem CID95326935
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea
SMILESCc1noc(C)c1NC(=O)NC[C@@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C17H22N4O2/c1-12-16(13(2)23-20-12)19-17(22)18-10-14-8-9-21(11-14)15-6-4-3-5-7-15/h3-7,14H,8-11H2,1-2H3,(H2,18,19,22)/t14-/m0/s1
InChIKeyGEPQTWCOXUAOFX-AWEZNQCLSA-N
XLogP2.94
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea with MolForge

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Related Compounds

1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
CID 2810659
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
1-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 30936534
2-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 38442503
ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
CID 110640322
N-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide
CID 86993830
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 94047838
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 51084019
1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 86902514
4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 122559036
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 95638289
5-bromo-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]furan-2-carboxamide
CID 47055377

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea (CID 95326935) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea is Cc1noc(C)c1NC(=O)NC[C@@H]1CCN(c2ccccc2)C1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea?
The InChIKey is GEPQTWCOXUAOFX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-16(13(2)23-20-12)19-17(22)18-10-14-8-9-21(11-14)15-6-4-3-5-7-15/h3-7,14H,8-11H2,1-2H3,(H2,18,19,22)/t14-/m0/s1.
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea has a molecular weight of 314.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 95326935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).