N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C20H22N4O3S — CID 90634916

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)c3cc(-c4cccs4)on3)CC2)n1
InChIInChI=1S/C20H22N4O3S/c1-12-10-13(2)22-20(21-12)26-15-7-5-14(6-8-15)23-19(25)16-11-17(27-24-16)18-4-3-9-28-18/h3-4,9-11,14-15H,5-8H2,1-2H3,(H,23,25)
InChIKeyWVXGZOIERUTNRF-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.93
Rot. Bonds5

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 90634916) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID90634916
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)c3cc(-c4cccs4)on3)CC2)n1
InChIInChI=1S/C20H22N4O3S/c1-12-10-13(2)22-20(21-12)26-15-7-5-14(6-8-15)23-19(25)16-11-17(27-24-16)18-4-3-9-28-18/h3-4,9-11,14-15H,5-8H2,1-2H3,(H,23,25)
InChIKeyWVXGZOIERUTNRF-UHFFFAOYSA-N
XLogP3.93
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90634797
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 90634871
N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 24794414
N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3242425
N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777467
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 90634902
N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 124760825
N-[(1S,2S)-2-hydroxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 104957384
ethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate
CID 90634770
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide
CID 91626469
2-(difluoromethylsulfanyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634865
N-cyclopropyl-5-(2-thiophen-2-ylethenyl)-1,2-oxazole-3-carboxamide
CID 74335612

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 90634916) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is Cc1cc(C)nc(OC2CCC(NC(=O)c3cc(-c4cccs4)on3)CC2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is WVXGZOIERUTNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-12-10-13(2)22-20(21-12)26-15-7-5-14(6-8-15)23-19(25)16-11-17(27-24-16)18-4-3-9-28-18/h3-4,9-11,14-15H,5-8H2,1-2H3,(H,23,25).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90634916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).