N-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-yl-N-[(3R)-thiolan-3-yl]-1,2-oxazole-5-carboxamide

C16H24N2O3S — CID 95376670

IUPACN-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-yl-N-[(3R)-thiolan-3-yl]-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)on1
InChIInChI=1S/C16H24N2O3S/c1-11(2)14-8-15(21-17-14)16(19)18(12-5-7-22-10-12)9-13-4-3-6-20-13/h8,11-13H,3-7,9-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyNNMWSKDSEXPKPL-OLZOCXBDSA-N
MW324.45 g/mol
LogP2.92
Rot. Bonds5

About N-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-yl-N-[(3R)-thiolan-3-yl]-1,2-oxazole-5-carboxamide

N-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-yl-N-[(3R)-thiolan-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 95376670) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-yl-N-[(3R)-thiolan-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-yl-N-[(3R)-thiolan-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID95376670
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-yl-N-[(3R)-thiolan-3-yl]-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)on1
InChIInChI=1S/C16H24N2O3S/c1-11(2)14-8-15(21-17-14)16(19)18(12-5-7-22-10-12)9-13-4-3-6-20-13/h8,11-13H,3-7,9-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyNNMWSKDSEXPKPL-OLZOCXBDSA-N
XLogP2.92
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyrrole-2-carboxamide
CID 97067533
5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-3-carboxamide
CID 96562097
5-bromo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furan-2-carboxamide
CID 55613442
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide
CID 97008483
(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide
CID 61163740
2-(methylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propanamide
CID 62638054
5-chloro-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyridine-3-carboxamide
CID 97313157
5-chloro-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625955
5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide
CID 97078581
5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 125153508
N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-3-carboxamide
CID 97083953
N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-indazole-3-carboxamide
CID 97083951

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-yl-N-[(3R)-thiolan-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-yl-N-[(3R)-thiolan-3-yl]-1,2-oxazole-5-carboxamide (CID 95376670) is N-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-yl-N-[(3R)-thiolan-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-yl-N-[(3R)-thiolan-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-yl-N-[(3R)-thiolan-3-yl]-1,2-oxazole-5-carboxamide is CC(C)c1cc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)on1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-yl-N-[(3R)-thiolan-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is NNMWSKDSEXPKPL-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-11(2)14-8-15(21-17-14)16(19)18(12-5-7-22-10-12)9-13-4-3-6-20-13/h8,11-13H,3-7,9-10H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-yl-N-[(3R)-thiolan-3-yl]-1,2-oxazole-5-carboxamide?
N-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-yl-N-[(3R)-thiolan-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-yl-N-[(3R)-thiolan-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95376670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).