N-[(1S,2S)-2-hydroxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C14H16N2O3S — CID 104957384

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1cc(-c2cccs2)on1
InChIInChI=1S/C14H16N2O3S/c17-11-5-2-1-4-9(11)15-14(18)10-8-12(19-16-10)13-6-3-7-20-13/h3,6-9,11,17H,1-2,4-5H2,(H,15,18)/t9-,11-/m0/s1
InChIKeyLHFHRAFUPCFBKX-ONGXEEELSA-N
MW292.36 g/mol
LogP2.44
Rot. Bonds3

About N-[(1S,2S)-2-hydroxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 104957384) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID104957384
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1cc(-c2cccs2)on1
InChIInChI=1S/C14H16N2O3S/c17-11-5-2-1-4-9(11)15-14(18)10-8-12(19-16-10)13-6-3-7-20-13/h3,6-9,11,17H,1-2,4-5H2,(H,15,18)/t9-,11-/m0/s1
InChIKeyLHFHRAFUPCFBKX-ONGXEEELSA-N
XLogP2.44
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 24794414
N'-(cyclopropanecarbonyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
CID 134050746
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104957455
2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 62695945
N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 32868562
N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 124760825
1-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81157567
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 90634916
3-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-2-carboxamide
CID 104927269
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122298311

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 104957384) is N-[(1S,2S)-2-hydroxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(N[C@H]1CCCC[C@@H]1O)c1cc(-c2cccs2)on1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is LHFHRAFUPCFBKX-ONGXEEELSA-N. The full InChI is InChI=1S/C14H16N2O3S/c17-11-5-2-1-4-9(11)15-14(18)10-8-12(19-16-10)13-6-3-7-20-13/h3,6-9,11,17H,1-2,4-5H2,(H,15,18)/t9-,11-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 104957384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).