N-(cyclohexylmethyl)-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide

C16H24N2O2S — CID 42789389

IUPACN-(cyclohexylmethyl)-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide
SMILESO=C(C1CCCO1)N(Cc1nccs1)CC1CCCCC1
InChIInChI=1S/C16H24N2O2S/c19-16(14-7-4-9-20-14)18(12-15-17-8-10-21-15)11-13-5-2-1-3-6-13/h8,10,13-14H,1-7,9,11-12H2
InChIKeyGASIEUPYSGPTHM-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.23
Rot. Bonds5

About N-(cyclohexylmethyl)-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide

N-(cyclohexylmethyl)-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide (PubChem CID 42789389) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide
PubChem CID42789389
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(cyclohexylmethyl)-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide
SMILESO=C(C1CCCO1)N(Cc1nccs1)CC1CCCCC1
InChIInChI=1S/C16H24N2O2S/c19-16(14-7-4-9-20-14)18(12-15-17-8-10-21-15)11-13-5-2-1-3-6-13/h8,10,13-14H,1-7,9,11-12H2
InChIKeyGASIEUPYSGPTHM-UHFFFAOYSA-N
XLogP3.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide (CID 42789389) is N-(cyclohexylmethyl)-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide is O=C(C1CCCO1)N(Cc1nccs1)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide?
The InChIKey is GASIEUPYSGPTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c19-16(14-7-4-9-20-14)18(12-15-17-8-10-21-15)11-13-5-2-1-3-6-13/h8,10,13-14H,1-7,9,11-12H2.
What are the key properties of N-(cyclohexylmethyl)-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide?
N-(cyclohexylmethyl)-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide is sourced from PubChem (CID 42789389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).