N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide

C16H27N3O3 — CID 96574907

IUPACN-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)no1
InChIInChI=1S/C16H27N3O3/c1-4-6-13-11-15(17-22-13)16(20)19(9-8-18(2)3)12-14-7-5-10-21-14/h11,14H,4-10,12H2,1-3H3/t14-/m1/s1
InChIKeyVIBCMINEUFIDAI-CQSZACIVSA-N
MW309.41 g/mol
LogP1.81
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide

N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 96574907) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID96574907
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)no1
InChIInChI=1S/C16H27N3O3/c1-4-6-13-11-15(17-22-13)16(20)19(9-8-18(2)3)12-14-7-5-10-21-14/h11,14H,4-10,12H2,1-3H3/t14-/m1/s1
InChIKeyVIBCMINEUFIDAI-CQSZACIVSA-N
XLogP1.81
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96579479
N-[2-(dimethylamino)ethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 97434846
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 95301857
5-[(3-methoxyphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-propyl-1,2-oxazole-3-carboxamide
CID 24791304
N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 154739069
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42192548
N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 74236420
4-chloro-N-[2-(dimethylamino)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95282674
N-[2-(dimethylamino)ethyl]-5,7-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 129433974
N-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 97127632
N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 26322660
4-cyano-N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 77095173

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide (CID 96574907) is N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)no1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is VIBCMINEUFIDAI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-4-6-13-11-15(17-22-13)16(20)19(9-8-18(2)3)12-14-7-5-10-21-14/h11,14H,4-10,12H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide?
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 1.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 96574907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).