(2S,5R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide

C15H22F2N4O3 — CID 138026771

IUPAC(2S,5R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide
SMILESCn1ncc(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)c1C(F)F
InChIInChI=1S/C15H22F2N4O3/c1-20-13(14(16)17)11(8-18-20)19-15(22)12-3-2-10(24-12)9-21-4-6-23-7-5-21/h8,10,12,14H,2-7,9H2,1H3,(H,19,22)/t10-,12+/m1/s1
InChIKeyMYOCSOXSKUMPBD-PWSUYJOCSA-N
MW344.36 g/mol
LogP1.18
Rot. Bonds5

About (2S,5R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide

(2S,5R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide (PubChem CID 138026771) has the molecular formula C15H22F2N4O3 and a molecular weight of 344.36 g/mol. Its IUPAC name is (2S,5R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide
PubChem CID138026771
Molecular FormulaC15H22F2N4O3
Molecular Weight344.36 g/mol
Exact Mass344.17
IUPAC Name(2S,5R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide
SMILESCn1ncc(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)c1C(F)F
InChIInChI=1S/C15H22F2N4O3/c1-20-13(14(16)17)11(8-18-20)19-15(22)12-3-2-10(24-12)9-21-4-6-23-7-5-21/h8,10,12,14H,2-7,9H2,1H3,(H,19,22)/t10-,12+/m1/s1
InChIKeyMYOCSOXSKUMPBD-PWSUYJOCSA-N
XLogP1.18
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide (CID 138026771) is (2S,5R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide is Cn1ncc(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)c1C(F)F.
What is the InChIKey of (2S,5R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide?
The InChIKey is MYOCSOXSKUMPBD-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H22F2N4O3/c1-20-13(14(16)17)11(8-18-20)19-15(22)12-3-2-10(24-12)9-21-4-6-23-7-5-21/h8,10,12,14H,2-7,9H2,1H3,(H,19,22)/t10-,12+/m1/s1.
What are the key properties of (2S,5R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide?
(2S,5R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide is sourced from PubChem (CID 138026771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).