N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide

C14H21N3O3S — CID 75373717

IUPACN-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide
SMILESCN1CCOC(CN(C(=O)C2CCCO2)c2nccs2)C1
InChIInChI=1S/C14H21N3O3S/c1-16-5-7-19-11(9-16)10-17(14-15-4-8-21-14)13(18)12-3-2-6-20-12/h4,8,11-12H,2-3,5-7,9-10H2,1H3
InChIKeyVVJPWRNMYJPYQS-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.99
Rot. Bonds4

About N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide

N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide (PubChem CID 75373717) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide
PubChem CID75373717
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide
SMILESCN1CCOC(CN(C(=O)C2CCCO2)c2nccs2)C1
InChIInChI=1S/C14H21N3O3S/c1-16-5-7-19-11(9-16)10-17(14-15-4-8-21-14)13(18)12-3-2-6-20-12/h4,8,11-12H,2-3,5-7,9-10H2,1H3
InChIKeyVVJPWRNMYJPYQS-UHFFFAOYSA-N
XLogP0.99
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide (CID 75373717) is N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide is CN1CCOC(CN(C(=O)C2CCCO2)c2nccs2)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide?
The InChIKey is VVJPWRNMYJPYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-16-5-7-19-11(9-16)10-17(14-15-4-8-21-14)13(18)12-3-2-6-20-12/h4,8,11-12H,2-3,5-7,9-10H2,1H3.
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide?
N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 75373717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).