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

C18H31N3O2 — CID 97314529

IUPACN-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NC[C@H](C1CCCCC1)N(C)C
InChIInChI=1S/C18H31N3O2/c1-12(2)17-16(13(3)20-23-17)18(22)19-11-15(21(4)5)14-9-7-6-8-10-14/h12,14-15H,6-11H2,1-5H3,(H,19,22)/t15-/m1/s1
InChIKeyUPWDLKZVPMLKNU-OAHLLOKOSA-N
MW321.46 g/mol
LogP3.35
Rot. Bonds6

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

N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 97314529) has the molecular formula C18H31N3O2 and a molecular weight of 321.46 g/mol. Its IUPAC name is N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID97314529
Molecular FormulaC18H31N3O2
Molecular Weight321.46 g/mol
Exact Mass321.24
IUPAC NameN-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NC[C@H](C1CCCCC1)N(C)C
InChIInChI=1S/C18H31N3O2/c1-12(2)17-16(13(3)20-23-17)18(22)19-11-15(21(4)5)14-9-7-6-8-10-14/h12,14-15H,6-11H2,1-5H3,(H,19,22)/t15-/m1/s1
InChIKeyUPWDLKZVPMLKNU-OAHLLOKOSA-N
XLogP3.35
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 97314529) is N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)NC[C@H](C1CCCCC1)N(C)C.
What is the InChIKey of N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is UPWDLKZVPMLKNU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-12(2)17-16(13(3)20-23-17)18(22)19-11-15(21(4)5)14-9-7-6-8-10-14/h12,14-15H,6-11H2,1-5H3,(H,19,22)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 321.46 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 97314529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).