(2R)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C17H25N5O3 — CID 100842044

IUPAC(2R)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N2CCO[C@@H](Cn3nc(C)cc3C)C2)on1
InChIInChI=1S/C17H25N5O3/c1-11-7-13(3)22(19-11)10-15-9-21(5-6-24-15)14(4)17(23)18-16-8-12(2)20-25-16/h7-8,14-15H,5-6,9-10H2,1-4H3,(H,18,23)/t14-,15-/m1/s1
InChIKeyDFMQPOHJRNCYDC-HUUCEWRRSA-N
MW347.42 g/mol
LogP1.52
Rot. Bonds5

About (2R)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

(2R)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 100842044) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is (2R)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID100842044
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name(2R)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N2CCO[C@@H](Cn3nc(C)cc3C)C2)on1
InChIInChI=1S/C17H25N5O3/c1-11-7-13(3)22(19-11)10-15-9-21(5-6-24-15)14(4)17(23)18-16-8-12(2)20-25-16/h7-8,14-15H,5-6,9-10H2,1-4H3,(H,18,23)/t14-,15-/m1/s1
InChIKeyDFMQPOHJRNCYDC-HUUCEWRRSA-N
XLogP1.52
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propanamide
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CID 110019829
4-amino-1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pentan-1-one
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2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 95299136
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of (2R)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 100842044) is (2R)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)N2CCO[C@@H](Cn3nc(C)cc3C)C2)on1.
What is the InChIKey of (2R)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is DFMQPOHJRNCYDC-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-11-7-13(3)22(19-11)10-15-9-21(5-6-24-15)14(4)17(23)18-16-8-12(2)20-25-16/h7-8,14-15H,5-6,9-10H2,1-4H3,(H,18,23)/t14-,15-/m1/s1.
What are the key properties of (2R)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
(2R)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 347.42 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 100842044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).