1-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]urea

C15H25N5O3 — CID 164629792

IUPAC1-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]urea
SMILESCN1CCO[C@H](CNC(=O)N[C@H]2CCOC2)[C@H]1c1cnn(C)c1
InChIInChI=1S/C15H25N5O3/c1-19-4-6-23-13(14(19)11-7-17-20(2)9-11)8-16-15(21)18-12-3-5-22-10-12/h7,9,12-14H,3-6,8,10H2,1-2H3,(H2,16,18,21)/t12-,13+,14+/m0/s1
InChIKeyHYJZFNBRCIMSJF-BFHYXJOUSA-N
MW323.40 g/mol
LogP-0.12
Rot. Bonds4

About 1-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]urea

1-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]urea (PubChem CID 164629792) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]urea.

Molecular Properties

Compound Name1-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]urea
PubChem CID164629792
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name1-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]urea
SMILESCN1CCO[C@H](CNC(=O)N[C@H]2CCOC2)[C@H]1c1cnn(C)c1
InChIInChI=1S/C15H25N5O3/c1-19-4-6-23-13(14(19)11-7-17-20(2)9-11)8-16-15(21)18-12-3-5-22-10-12/h7,9,12-14H,3-6,8,10H2,1-2H3,(H2,16,18,21)/t12-,13+,14+/m0/s1
InChIKeyHYJZFNBRCIMSJF-BFHYXJOUSA-N
XLogP-0.12
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

US11179399, Example 19
CID 163200021
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CID 163200022
US11179399, Example 19_2
CID 163200023
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1-[1-(4-fluorocyclohexyl)ethyl]-3-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]urea
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CID 154763721
N,N-dimethyl-1-[rel-(2S,3S)-3-(1-methyl-1H-pyrazol-4-yl)-4-(4,4,4-trifluorobutanoyl)-2-morpholinyl]methanamine
CID 155496721
[(3S,4R)-1-(2-methoxyethyl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]urea?
The IUPAC name of 1-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]urea (CID 164629792) is 1-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]urea.
What is the SMILES notation for 1-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]urea?
The canonical SMILES for 1-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]urea is CN1CCO[C@H](CNC(=O)N[C@H]2CCOC2)[C@H]1c1cnn(C)c1.
What is the InChIKey of 1-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]urea?
The InChIKey is HYJZFNBRCIMSJF-BFHYXJOUSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-19-4-6-23-13(14(19)11-7-17-20(2)9-11)8-16-15(21)18-12-3-5-22-10-12/h7,9,12-14H,3-6,8,10H2,1-2H3,(H2,16,18,21)/t12-,13+,14+/m0/s1.
What are the key properties of 1-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]urea?
1-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]urea has a molecular weight of 323.40 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]urea is sourced from PubChem (CID 164629792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).