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

C18H25N3O2S — CID 140543006

IUPACN-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(C(c3cccs3)N(C)C)CC2)no1
InChIInChI=1S/C18H25N3O2S/c1-12-11-15(20-23-12)18(22)19-14-8-6-13(7-9-14)17(21(2)3)16-5-4-10-24-16/h4-5,10-11,13-14,17H,6-9H2,1-3H3,(H,19,22)
InChIKeyHVJVUYCRDCJBOC-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.64
Rot. Bonds5

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

N-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 140543006) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID140543006
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(C(c3cccs3)N(C)C)CC2)no1
InChIInChI=1S/C18H25N3O2S/c1-12-11-15(20-23-12)18(22)19-14-8-6-13(7-9-14)17(21(2)3)16-5-4-10-24-16/h4-5,10-11,13-14,17H,6-9H2,1-3H3,(H,19,22)
InChIKeyHVJVUYCRDCJBOC-UHFFFAOYSA-N
XLogP3.64
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 17173829
N-(4-aminocyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119477538
1-cyclohexyl-N,N-dimethyl-1-thiophen-2-ylmethanamine
CID 68703727
N-[4-(cyclopropylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51299884
[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl] N-[2-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]amino]-2-oxoethyl]carbamate
CID 91152793
N-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]methyl]-2-thiophen-2-ylacetamide
CID 66994303
N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3242425
N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 24794414
N-cyclopropyl-5-(2-thiophen-2-ylethenyl)-1,2-oxazole-3-carboxamide
CID 74335612
N-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 95583405
N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777467
5-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 102602829

Frequently Asked Questions

What is the IUPAC name of N-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 140543006) is N-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC2CCC(C(c3cccs3)N(C)C)CC2)no1.
What is the InChIKey of N-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is HVJVUYCRDCJBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-12-11-15(20-23-12)18(22)19-14-8-6-13(7-9-14)17(21(2)3)16-5-4-10-24-16/h4-5,10-11,13-14,17H,6-9H2,1-3H3,(H,19,22).
What are the key properties of N-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 140543006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).