N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

C18H22N2O3S — CID 97079001

IUPACN-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESO=C(N[C@H]1CCOC2(CCCCC2)C1)c1ncoc1-c1cccs1
InChIInChI=1S/C18H22N2O3S/c21-17(15-16(22-12-19-15)14-5-4-10-24-14)20-13-6-9-23-18(11-13)7-2-1-3-8-18/h4-5,10,12-13H,1-3,6-9,11H2,(H,20,21)/t13-/m0/s1
InChIKeyONANTBHCRNGJSM-ZDUSSCGKSA-N
MW346.45 g/mol
LogP4.01
Rot. Bonds3

About N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 97079001) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID97079001
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESO=C(N[C@H]1CCOC2(CCCCC2)C1)c1ncoc1-c1cccs1
InChIInChI=1S/C18H22N2O3S/c21-17(15-16(22-12-19-15)14-5-4-10-24-14)20-13-6-9-23-18(11-13)7-2-1-3-8-18/h4-5,10,12-13H,1-3,6-9,11H2,(H,20,21)/t13-/m0/s1
InChIKeyONANTBHCRNGJSM-ZDUSSCGKSA-N
XLogP4.01
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

1-cyclopropyl-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-1-(thiophen-2-ylmethyl)urea
CID 97235728
N-(2-aminoethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide;hydrochloride
CID 19768665
N-(6-oxaspiro[4.5]decan-9-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 102559979
N-(1-oxaspiro[5.5]undecan-4-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 127600441
2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)pyridine-4-carboxamide
CID 166234579
1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235596
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235599
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99714773
N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895882
(2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide
CID 97235901
(2S)-1-(5-thiophen-2-yl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 124703106

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 97079001) is N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ncoc1-c1cccs1.
What is the InChIKey of N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is ONANTBHCRNGJSM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N2O3S/c21-17(15-16(22-12-19-15)14-5-4-10-24-14)20-13-6-9-23-18(11-13)7-2-1-3-8-18/h4-5,10,12-13H,1-3,6-9,11H2,(H,20,21)/t13-/m0/s1.
What are the key properties of N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 97079001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).