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

C14H21N3O3S — CID 75373719

IUPACN-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide
SMILESCN1CCOC(CN(C(=O)C2CCOC2)c2nccs2)C1
InChIInChI=1S/C14H21N3O3S/c1-16-4-6-20-12(8-16)9-17(14-15-3-7-21-14)13(18)11-2-5-19-10-11/h3,7,11-12H,2,4-6,8-10H2,1H3
InChIKeyLMTREDNPAVMVGJ-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.84
Rot. Bonds4

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

N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide (PubChem CID 75373719) 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-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide
PubChem CID75373719
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide
SMILESCN1CCOC(CN(C(=O)C2CCOC2)c2nccs2)C1
InChIInChI=1S/C14H21N3O3S/c1-16-4-6-20-12(8-16)9-17(14-15-3-7-21-14)13(18)11-2-5-19-10-11/h3,7,11-12H,2,4-6,8-10H2,1H3
InChIKeyLMTREDNPAVMVGJ-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
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-3-carboxamide?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide (CID 75373719) is N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide is CN1CCOC(CN(C(=O)C2CCOC2)c2nccs2)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide?
The InChIKey is LMTREDNPAVMVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-16-4-6-20-12(8-16)9-17(14-15-3-7-21-14)13(18)11-2-5-19-10-11/h3,7,11-12H,2,4-6,8-10H2,1H3.
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide?
N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.84, 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-3-carboxamide is sourced from PubChem (CID 75373719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).