3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propanamide

C20H28N2O3S — CID 91817477

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NCC1(c2ccc(C(C)O)s2)CCCC1
InChIInChI=1S/C20H28N2O3S/c1-13-16(15(3)25-22-13)6-9-19(24)21-12-20(10-4-5-11-20)18-8-7-17(26-18)14(2)23/h7-8,14,23H,4-6,9-12H2,1-3H3,(H,21,24)
InChIKeyOXMYIOORJGQCTC-UHFFFAOYSA-N
MW376.52 g/mol
LogP3.97
Rot. Bonds7

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propanamide (PubChem CID 91817477) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propanamide
PubChem CID91817477
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NCC1(c2ccc(C(C)O)s2)CCCC1
InChIInChI=1S/C20H28N2O3S/c1-13-16(15(3)25-22-13)6-9-19(24)21-12-20(10-4-5-11-20)18-8-7-17(26-18)14(2)23/h7-8,14,23H,4-6,9-12H2,1-3H3,(H,21,24)
InChIKeyOXMYIOORJGQCTC-UHFFFAOYSA-N
XLogP3.97
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 91817464
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]acetamide
CID 121178927
1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544348
N-[[1-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 100720415
1-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-(4-methylphenyl)urea
CID 121179304
2-(2,5-dioxopyrrolidin-1-yl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]acetamide
CID 91817474
[1-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methylamino]-2-methyl-1-oxopropan-2-yl] acetate
CID 100721399
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-phenyloxane-4-carboxamide
CID 121179056
2,4-dichloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 121179034
2-(2-chloro-6-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]acetamide
CID 121179089
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 43351070
2-fluoro-N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 100720519

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propanamide (CID 91817477) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propanamide is Cc1noc(C)c1CCC(=O)NCC1(c2ccc(C(C)O)s2)CCCC1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propanamide?
The InChIKey is OXMYIOORJGQCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-13-16(15(3)25-22-13)6-9-19(24)21-12-20(10-4-5-11-20)18-8-7-17(26-18)14(2)23/h7-8,14,23H,4-6,9-12H2,1-3H3,(H,21,24).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propanamide has a molecular weight of 376.52 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propanamide is sourced from PubChem (CID 91817477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).