N-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

C16H29N3O2 — CID 95593417

IUPACN-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NC[C@H](CC(C)C)N(C)C
InChIInChI=1S/C16H29N3O2/c1-10(2)8-13(19(6)7)9-17-16(20)14-12(5)18-21-15(14)11(3)4/h10-11,13H,8-9H2,1-7H3,(H,17,20)/t13-/m0/s1
InChIKeyDLXTZLOBAJWJKU-ZDUSSCGKSA-N
MW295.43 g/mol
LogP2.81
Rot. Bonds7

About N-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

N-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 95593417) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID95593417
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NC[C@H](CC(C)C)N(C)C
InChIInChI=1S/C16H29N3O2/c1-10(2)8-13(19(6)7)9-17-16(20)14-12(5)18-21-15(14)11(3)4/h10-11,13H,8-9H2,1-7H3,(H,17,20)/t13-/m0/s1
InChIKeyDLXTZLOBAJWJKU-ZDUSSCGKSA-N
XLogP2.81
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

N-(2-hydroxy-4-methylpentyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 103770748
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
N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 97314529
3-methyl-2-[[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]methyl]butanoic acid
CID 65219995
methyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 103958065
3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide
CID 60667713
(2R)-4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 78975366
4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 43353375
N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 134005900
N-[2-(ethylamino)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9224852
methyl 4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoate
CID 43407276

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 95593417) is N-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)NC[C@H](CC(C)C)N(C)C.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is DLXTZLOBAJWJKU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-10(2)8-13(19(6)7)9-17-16(20)14-12(5)18-21-15(14)11(3)4/h10-11,13H,8-9H2,1-7H3,(H,17,20)/t13-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 95593417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).