N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

C18H27N3O2S — CID 39209724

IUPACN-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)[C@@H](CNC(=O)c1c(C)noc1C(C)C)c1ccsc1
InChIInChI=1S/C18H27N3O2S/c1-6-21(7-2)15(14-8-9-24-11-14)10-19-18(22)16-13(5)20-23-17(16)12(3)4/h8-9,11-12,15H,6-7,10H2,1-5H3,(H,19,22)/t15-/m0/s1
InChIKeyFVZFZZUXXUVCIQ-HNNXBMFYSA-N
MW349.50 g/mol
LogP3.98
Rot. Bonds8

About N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 39209724) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID39209724
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)[C@@H](CNC(=O)c1c(C)noc1C(C)C)c1ccsc1
InChIInChI=1S/C18H27N3O2S/c1-6-21(7-2)15(14-8-9-24-11-14)10-19-18(22)16-13(5)20-23-17(16)12(3)4/h8-9,11-12,15H,6-7,10H2,1-5H3,(H,19,22)/t15-/m0/s1
InChIKeyFVZFZZUXXUVCIQ-HNNXBMFYSA-N
XLogP3.98
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 39212835
N-[2-(dimethylamino)-2-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 75459780
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 51095638
4-acetyl-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 39214885
5-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]pyridine-3-carboxamide
CID 39214471
3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide
CID 60667713
N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-5-nitropyridine-3-carboxamide
CID 51941884
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55660215
3-methyl-2-[[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]methyl]butanoic acid
CID 65219995
N-(2-hydroxy-4-methylpentyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 103770748
2-(aminomethyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119849775
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55843155

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 39209724) is N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is CCN(CC)[C@@H](CNC(=O)c1c(C)noc1C(C)C)c1ccsc1.
What is the InChIKey of N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is FVZFZZUXXUVCIQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-6-21(7-2)15(14-8-9-24-11-14)10-19-18(22)16-13(5)20-23-17(16)12(3)4/h8-9,11-12,15H,6-7,10H2,1-5H3,(H,19,22)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 39209724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).