3-butan-2-yl-N-[(2-hydroxycyclopentyl)methyl]-1,2-oxazole-5-carboxamide

C14H22N2O3 — CID 111471313

IUPAC3-butan-2-yl-N-[(2-hydroxycyclopentyl)methyl]-1,2-oxazole-5-carboxamide
SMILESCCC(C)c1cc(C(=O)NCC2CCCC2O)on1
InChIInChI=1S/C14H22N2O3/c1-3-9(2)11-7-13(19-16-11)14(18)15-8-10-5-4-6-12(10)17/h7,9-10,12,17H,3-6,8H2,1-2H3,(H,15,18)
InChIKeyYVMJPEGMTDYFBX-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.08
Rot. Bonds5

About 3-butan-2-yl-N-[(2-hydroxycyclopentyl)methyl]-1,2-oxazole-5-carboxamide

3-butan-2-yl-N-[(2-hydroxycyclopentyl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 111471313) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-butan-2-yl-N-[(2-hydroxycyclopentyl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-butan-2-yl-N-[(2-hydroxycyclopentyl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID111471313
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-butan-2-yl-N-[(2-hydroxycyclopentyl)methyl]-1,2-oxazole-5-carboxamide
SMILESCCC(C)c1cc(C(=O)NCC2CCCC2O)on1
InChIInChI=1S/C14H22N2O3/c1-3-9(2)11-7-13(19-16-11)14(18)15-8-10-5-4-6-12(10)17/h7,9-10,12,17H,3-6,8H2,1-2H3,(H,15,18)
InChIKeyYVMJPEGMTDYFBX-UHFFFAOYSA-N
XLogP2.08
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-butan-2-yl-N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide
CID 111459570
5-ethyl-N-[(2-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64929693
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 114317011
N-[(2-hydroxycyclohexyl)methyl]-1,2-oxazole-5-carboxamide
CID 64928484
1-ethyl-N-[(2-hydroxycyclohexyl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 64928116
3-butan-2-yl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide
CID 111477071
3-[(2S)-butan-2-yl]-N-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]-1,2-oxazole-5-carboxamide
CID 124777466
2-[[3-[[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 129335580
3-butan-2-yl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide
CID 71990790
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124574903
N-[(2-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156374
N-[(1-hydroxycyclobutyl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 111539650

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-N-[(2-hydroxycyclopentyl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-butan-2-yl-N-[(2-hydroxycyclopentyl)methyl]-1,2-oxazole-5-carboxamide (CID 111471313) is 3-butan-2-yl-N-[(2-hydroxycyclopentyl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-butan-2-yl-N-[(2-hydroxycyclopentyl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-butan-2-yl-N-[(2-hydroxycyclopentyl)methyl]-1,2-oxazole-5-carboxamide is CCC(C)c1cc(C(=O)NCC2CCCC2O)on1.
What is the InChIKey of 3-butan-2-yl-N-[(2-hydroxycyclopentyl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is YVMJPEGMTDYFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-9(2)11-7-13(19-16-11)14(18)15-8-10-5-4-6-12(10)17/h7,9-10,12,17H,3-6,8H2,1-2H3,(H,15,18).
What are the key properties of 3-butan-2-yl-N-[(2-hydroxycyclopentyl)methyl]-1,2-oxazole-5-carboxamide?
3-butan-2-yl-N-[(2-hydroxycyclopentyl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-N-[(2-hydroxycyclopentyl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 111471313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).